From ab1976596574e888462099027b4003d3cfe023ff Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Mike=20Grudi=C4=87?= Date: Tue, 22 Jul 2025 11:13:24 +0200 Subject: [PATCH 01/90] Create c-cpp.yml --- .github/workflows/c-cpp.yml | 19 +++++++++++++++++++ 1 file changed, 19 insertions(+) create mode 100644 .github/workflows/c-cpp.yml diff --git a/.github/workflows/c-cpp.yml b/.github/workflows/c-cpp.yml new file mode 100644 index 000000000..1f519c708 --- /dev/null +++ b/.github/workflows/c-cpp.yml @@ -0,0 +1,19 @@ +name: C/C++ CI + +on: + push: + branches: [ "master" ] + pull_request: + branches: [ "master" ] + +jobs: + build: + + runs-on: ubuntu-latest + + steps: + - uses: actions/checkout@v4 + - name: configure + run: ./configure + - name: make + run: make From 180c57450aa18ca73baeabf6de03bd8b2cb50ed0 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Mike=20Grudi=C4=87?= Date: Tue, 22 Jul 2025 11:15:01 +0200 Subject: [PATCH 02/90] Update c-cpp.yml --- .github/workflows/c-cpp.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/c-cpp.yml b/.github/workflows/c-cpp.yml index 1f519c708..aa46db3e8 100644 --- a/.github/workflows/c-cpp.yml +++ b/.github/workflows/c-cpp.yml @@ -2,9 +2,9 @@ name: C/C++ CI on: push: - branches: [ "master" ] + branches: [ "master","autotest"] pull_request: - branches: [ "master" ] + branches: [ "master","autotest" ] jobs: build: From e5b578c220079eaf08066b4a6383fad29b9e5dfa Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Tue, 22 Jul 2025 12:52:30 +0200 Subject: [PATCH 03/90] default systype set for auto build on github --- Makefile.systype | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/Makefile.systype b/Makefile.systype index 20a821bfa..6e334a764 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -6,7 +6,8 @@ # ############# -SYSTYPE="Frontera" +SYSTYPE="github-ubuntu" +#SYSTYPE="Frontera" #SYSTYPE="Stampede2" #SYSTYPE="Bridges2" #SYSTYPE="Anvil" From f6ecf26fcfe0a5923474af6c4f0aafacf4c7f20e Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Fri, 6 Mar 2026 08:02:44 -0500 Subject: [PATCH 04/90] remove jaco files from build system until the codegen is fully automated --- Makefile | 2 -- 1 file changed, 2 deletions(-) diff --git a/Makefile b/Makefile index e3ad4c01a..aff379f57 100644 --- a/Makefile +++ b/Makefile @@ -1329,8 +1329,6 @@ HYDRO_OBJS = hydro/hydro_toplevel.o \ turb/turb_powerspectra.o EOSCOOL_OBJS = cooling/cooling.o \ - cooling/jaco.o \ - cooling/microphysics_func_jac.o \ cooling/grackle.o \ cooling/simple_chemistry.o \ eos/eos.o \ From a394cebac3473499483f76310ba74fb958a2f1e7 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Fri, 6 Mar 2026 13:37:01 -0500 Subject: [PATCH 05/90] fix: error in flag logic for planck-mean dust opacity causing nonsense dust temperature values in setups with COOLING but without RT_INFRARED --- radiation/rt_utilities.c | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/radiation/rt_utilities.c b/radiation/rt_utilities.c index 846418961..3e5bce0af 100644 --- a/radiation/rt_utilities.c +++ b/radiation/rt_utilities.c @@ -1710,7 +1710,7 @@ double rt_kappa_adaptive_IR_band(int i, double T_dust, double Trad, int do_emiss if(dust_or_gas_opacity_only_flag >= 0) // dust opacities { -#ifdef RT_INFRARED // use fancy detailed fit with composition varying by dust temperature + // use fancy detailed fit with composition varying by dust temperature /* opacities are from tables of Semenov et al 2003; we use their 'standard' model, for each -dust- temperature range (which gives a different dust composition, hence different wavelength-dependent specific opacity). We then integrate to @@ -1723,7 +1723,6 @@ double rt_kappa_adaptive_IR_band(int i, double T_dust, double Trad, int do_emiss to different grain composition choices (porous/non, composite/non, 5-layer/aggregated/etc) in Semenov et al's paper */ kappa = dust_planck_mean_opacity(Trad, T_dust_opacitytable); -#endif #ifdef RADTRANSFER if((do_emission_absorption_scattering_opacity==1) || (do_emission_absorption_scattering_opacity==-1)) { kappa *= (1.-0.5/(1.+((725.*725.)/(1.+Trad*Trad)))); /* rough interpolation for dust depending on the radiation temperature: high Trad, this is 1/2, low Trad, gets closer to unity */ From ae22134e9c1b0699c0f0cc8e17f99f5b73f59b88 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Fri, 6 Mar 2026 14:32:50 -0500 Subject: [PATCH 06/90] test: trivial test to check pytest --- test/test_trivial.py | 4 ++++ 1 file changed, 4 insertions(+) create mode 100644 test/test_trivial.py diff --git a/test/test_trivial.py b/test/test_trivial.py new file mode 100644 index 000000000..2286c69f6 --- /dev/null +++ b/test/test_trivial.py @@ -0,0 +1,4 @@ +"""A trivial test for pytest""" + +def test_trivial(): + assert True \ No newline at end of file From 85f4b15ad99fa5b60a37793e04017585c50b1f09 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Fri, 6 Mar 2026 14:58:30 -0500 Subject: [PATCH 07/90] gmc cooling test --- test/gmc_cooling/Config.sh | 8 ++++++++ test/gmc_cooling/README.md | 13 +++++++++++++ test/{ => trivial}/test_trivial.py | 0 3 files changed, 21 insertions(+) create mode 100644 test/gmc_cooling/Config.sh create mode 100644 test/gmc_cooling/README.md rename test/{ => trivial}/test_trivial.py (100%) diff --git a/test/gmc_cooling/Config.sh b/test/gmc_cooling/Config.sh new file mode 100644 index 000000000..fa676154a --- /dev/null +++ b/test/gmc_cooling/Config.sh @@ -0,0 +1,8 @@ +SINGLE_STAR_STARFORGE_DEFAULTS +MAGNETIC +COOLING +METALS +COOL_METAL_LINES_BY_SPECIES +BOX_PERIODIC +GRAVITY_NOT_PERIODIC +ADAPTIVE_TREEFORCE_UPDATE=0.0625 \ No newline at end of file diff --git a/test/gmc_cooling/README.md b/test/gmc_cooling/README.md new file mode 100644 index 000000000..15464f978 --- /dev/null +++ b/test/gmc_cooling/README.md @@ -0,0 +1,13 @@ +# GMC cooling test + +This test initializes a $$2\times10^4 M_\odot$$ giant molecular cloud at $1M_\odot$ resolution, runs it for about a crossing time, and verifies that + +Compile-time flags used for this setup: +` +SINGLE_STAR_STARFORGE_DEFAULTS +COOLING +MAGNETIC +BOX_PERIODIC +GRAVITY_NOT_PERIODIC +ADAPTIVE_TREEFORCE_UPDATE=0.0625 +` \ No newline at end of file diff --git a/test/test_trivial.py b/test/trivial/test_trivial.py similarity index 100% rename from test/test_trivial.py rename to test/trivial/test_trivial.py From 01d5408123e5226753f467b70250206980227d64 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Mike=20Grudi=C4=87?= Date: Fri, 6 Mar 2026 15:01:22 -0500 Subject: [PATCH 08/90] Update README.md --- test/gmc_cooling/README.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/test/gmc_cooling/README.md b/test/gmc_cooling/README.md index 15464f978..6f8794967 100644 --- a/test/gmc_cooling/README.md +++ b/test/gmc_cooling/README.md @@ -3,11 +3,11 @@ This test initializes a $$2\times10^4 M_\odot$$ giant molecular cloud at $1M_\odot$ resolution, runs it for about a crossing time, and verifies that Compile-time flags used for this setup: -` +`` SINGLE_STAR_STARFORGE_DEFAULTS COOLING MAGNETIC BOX_PERIODIC GRAVITY_NOT_PERIODIC ADAPTIVE_TREEFORCE_UPDATE=0.0625 -` \ No newline at end of file +`` From c5ccf0b9a2ab7eb817dea883afd542a221509fe3 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Mike=20Grudi=C4=87?= Date: Fri, 6 Mar 2026 15:06:44 -0500 Subject: [PATCH 09/90] Update README.md --- test/gmc_cooling/README.md | 20 +++++++++++--------- 1 file changed, 11 insertions(+), 9 deletions(-) diff --git a/test/gmc_cooling/README.md b/test/gmc_cooling/README.md index 6f8794967..e6481c29b 100644 --- a/test/gmc_cooling/README.md +++ b/test/gmc_cooling/README.md @@ -1,13 +1,15 @@ # GMC cooling test -This test initializes a $$2\times10^4 M_\odot$$ giant molecular cloud at $1M_\odot$ resolution, runs it for about a crossing time, and verifies that +This test initializes a $$2\times10^4 M_\odot$$ giant molecular cloud at $1M_\odot$ resolution, runs it for about a crossing time, and verifies that the temperature-density statistics are in agreement with a pre-run setup, within a reasonable tolerance. + +This is a benchmark test. Failing this test does not necessarily imply that there is a problem, but rather indicates that something has changed that should be noted. Compile-time flags used for this setup: -`` -SINGLE_STAR_STARFORGE_DEFAULTS -COOLING -MAGNETIC -BOX_PERIODIC -GRAVITY_NOT_PERIODIC -ADAPTIVE_TREEFORCE_UPDATE=0.0625 -`` +``` + SINGLE_STAR_STARFORGE_DEFAULTS + COOLING + MAGNETIC + BOX_PERIODIC + GRAVITY_NOT_PERIODIC + ADAPTIVE_TREEFORCE_UPDATE=0.0625 +``` From 324e2b7006f66fbd8ea5b5de51ff9d2c6223fba3 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 11:46:50 -0400 Subject: [PATCH 10/90] testing setup --- .github/workflows/test.yml | 39 ++++++++++++++++++++++++++++++++++ requirements.txt | 2 ++ test/gmc_cooling/test_build.sh | 5 +++++ 3 files changed, 46 insertions(+) create mode 100644 .github/workflows/test.yml create mode 100644 requirements.txt create mode 100644 test/gmc_cooling/test_build.sh diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml new file mode 100644 index 000000000..a79d2f516 --- /dev/null +++ b/.github/workflows/test.yml @@ -0,0 +1,39 @@ +# This workflow will install Python dependencies, run tests and lint with a variety of Python versions +# For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python + +name: Tests + +on: + [push] + [pull_request] + +jobs: + build: + + runs-on: ubuntu-latest + strategy: + fail-fast: false + matrix: + python-version: ["3.10", "3.11", "3.12", "3.13"] + + steps: + - uses: actions/checkout@v4 + - name: Set up Python ${{ matrix.python-version }} + uses: actions/setup-python@v3 + with: + python-version: ${{ matrix.python-version }} + - name: Install dependencies + run: | + python -m pip install --upgrade pip + python -m pip install flake8 pytest pytest-cov + python -m pip install . + if [ -f requirements.txt ]; then pip install -r requirements.txt; fi + - name: Lint with flake8 + run: | + # stop the build if there are Python syntax errors or undefined names + flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics + # exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide + flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics + - name: Test with pytest + run: | + pytest diff --git a/requirements.txt b/requirements.txt new file mode 100644 index 000000000..91bde0f38 --- /dev/null +++ b/requirements.txt @@ -0,0 +1,2 @@ +mpi4py +pytest diff --git a/test/gmc_cooling/test_build.sh b/test/gmc_cooling/test_build.sh new file mode 100644 index 000000000..26972fdef --- /dev/null +++ b/test/gmc_cooling/test_build.sh @@ -0,0 +1,5 @@ +# script to build GIZMO for the test; should be run from the gizmo source code root directory + +TEST_NAME="gmc_cooling" +cp test/$TEST_NAME/Config.sh . +echo 'SYSTYPE="Ubuntu"' > Makefile.systype \ No newline at end of file From 9770414a5ea168ce95a7de8d5afdc88f95487e64 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 11:48:30 -0400 Subject: [PATCH 11/90] testing setup --- .github/workflows/test.yml | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index a79d2f516..8ac041c38 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -4,8 +4,7 @@ name: Tests on: - [push] - [pull_request] + [push, pull_request] jobs: build: From b418f2305bdce2e71eb8d614e3b193cc431923f8 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 11:51:30 -0400 Subject: [PATCH 12/90] testing setup --- .github/workflows/test.yml | 2 +- pyproject.toml | 25 +++++++++++++++++++++++++ requirements.txt | 2 -- 3 files changed, 26 insertions(+), 3 deletions(-) create mode 100644 pyproject.toml delete mode 100644 requirements.txt diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 8ac041c38..b9bd82f6b 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -13,7 +13,7 @@ jobs: strategy: fail-fast: false matrix: - python-version: ["3.10", "3.11", "3.12", "3.13"] + python-version: ["3.13"] steps: - uses: actions/checkout@v4 diff --git a/pyproject.toml b/pyproject.toml new file mode 100644 index 000000000..8c6009a95 --- /dev/null +++ b/pyproject.toml @@ -0,0 +1,25 @@ +[build-system] +requires = ["setuptools >= 77.0.3"] +build-backend = "setuptools.build_meta" + +[project] +name = "gizmo_test" +version = "0.1" +description = "pytest testing for gizmo" +readme = "README.md" +requires-python = ">=3.10" +classifiers = [ + "Programming Language :: Python :: 3", + "Operating System :: OS Independent", +] +dependencies = [ +"mpi4py", +"pytest", +] + +license = "MIT" +license-files = ["LICEN[CS]E*"] + +[project.urls] +Homepage = "https://github.com/mikegrudic/gizmo_imf" +Issues = "https://github.com/mikegrudic/gizmo_imf/issues" \ No newline at end of file diff --git a/requirements.txt b/requirements.txt deleted file mode 100644 index 91bde0f38..000000000 --- a/requirements.txt +++ /dev/null @@ -1,2 +0,0 @@ -mpi4py -pytest From 194c8c41df3ac9a1a060b881c4a18eb63e92e92c Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 11:53:55 -0400 Subject: [PATCH 13/90] testing setup --- pyproject.toml | 1 - 1 file changed, 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 8c6009a95..5ca551f1e 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -18,7 +18,6 @@ dependencies = [ ] license = "MIT" -license-files = ["LICEN[CS]E*"] [project.urls] Homepage = "https://github.com/mikegrudic/gizmo_imf" From fd04822d5cbb1f288cb9b6d518fadc24d5cb7182 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 11:56:46 -0400 Subject: [PATCH 14/90] setuptools package discovery fix --- pyproject.toml | 3 +++ 1 file changed, 3 insertions(+) diff --git a/pyproject.toml b/pyproject.toml index 5ca551f1e..8d92f17f5 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -2,6 +2,9 @@ requires = ["setuptools >= 77.0.3"] build-backend = "setuptools.build_meta" +[tool.setuptools] +packages = ["test"] + [project] name = "gizmo_test" version = "0.1" From a7b6ddd2b254f212c796688e5a769abecb75c1cd Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 11:58:16 -0400 Subject: [PATCH 15/90] test: mpi build in integration --- .github/workflows/test.yml | 11 ++++------- 1 file changed, 4 insertions(+), 7 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index b9bd82f6b..be2404bf2 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -24,15 +24,12 @@ jobs: - name: Install dependencies run: | python -m pip install --upgrade pip - python -m pip install flake8 pytest pytest-cov python -m pip install . if [ -f requirements.txt ]; then pip install -r requirements.txt; fi - - name: Lint with flake8 - run: | - # stop the build if there are Python syntax errors or undefined names - flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics - # exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide - flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics + - name: Setup MPI + uses: mpi4py/setup-mpi@v1 + with: + mpi: openmpi - name: Test with pytest run: | pytest From 26f63e4accbd6ad163625f1d9d3645d05238a40d Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 14:11:31 -0400 Subject: [PATCH 16/90] test package installations --- .github/workflows/test.yml | 2 ++ pyproject.toml | 5 +---- 2 files changed, 3 insertions(+), 4 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index be2404bf2..9893c3d00 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -30,6 +30,8 @@ jobs: uses: mpi4py/setup-mpi@v1 with: mpi: openmpi + - name: Install libraries + run: sudo apt install gsl hdf5 - name: Test with pytest run: | pytest diff --git a/pyproject.toml b/pyproject.toml index 8d92f17f5..03d1d738f 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -15,10 +15,7 @@ classifiers = [ "Programming Language :: Python :: 3", "Operating System :: OS Independent", ] -dependencies = [ -"mpi4py", -"pytest", -] +dependencies = ["pytest",] license = "MIT" From bc988568f3e124b35581a30d9100f0cb6ebbb375 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 14:13:45 -0400 Subject: [PATCH 17/90] test package installations --- .github/workflows/test.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 9893c3d00..d3efbfd05 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -31,7 +31,7 @@ jobs: with: mpi: openmpi - name: Install libraries - run: sudo apt install gsl hdf5 + run: sudo apt install libgsl libhdf5 - name: Test with pytest run: | pytest From 248e031eacaf7d7633bca4b4e7e835fc3718bfad Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 14:18:41 -0400 Subject: [PATCH 18/90] test package installations --- .github/workflows/test.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index d3efbfd05..f259acada 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -31,7 +31,7 @@ jobs: with: mpi: openmpi - name: Install libraries - run: sudo apt install libgsl libhdf5 + run: sudo apt install libgsl-dev libhdf5-dev - name: Test with pytest run: | pytest From 2115b700f0735c8915bbe3f4f243e020d445548d Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 14:49:26 -0400 Subject: [PATCH 19/90] gmc_cooling test skeleton --- Makefile | 3 ++- proto.h | 2 +- .../test_trivial.cpython-313-pytest-8.4.2.pyc | Bin 0 -> 670 bytes test/build.py | 7 +++++++ test/build_gizmo_for_test.sh | 7 +++++++ test/gmc_cooling/test_build.sh | 4 +--- test/gmc_cooling/test_trivial.py | 4 ++++ .../test_trivial.cpython-313-pytest-8.4.2.pyc | Bin 0 -> 678 bytes 8 files changed, 22 insertions(+), 5 deletions(-) create mode 100644 test/__pycache__/test_trivial.cpython-313-pytest-8.4.2.pyc create mode 100644 test/build.py create mode 100644 test/build_gizmo_for_test.sh create mode 100644 test/gmc_cooling/test_trivial.py create mode 100644 test/trivial/__pycache__/test_trivial.cpython-313-pytest-8.4.2.pyc diff --git a/Makefile b/Makefile index aff379f57..1a0f9b241 100644 --- a/Makefile +++ b/Makefile @@ -1358,7 +1358,8 @@ RHD_OBJS = radiation/rt_utilities.o \ radiation/rt_CGmethod.o \ radiation/rt_source_injection.o \ radiation/rt_chem.o \ - radiation/rt_cooling.o + radiation/rt_cooling.o \ + radiation/rt_dust_opacity.o FOF_OBJS = structure/fof.o \ structure/subfind/subfind.o \ diff --git a/proto.h b/proto.h index a61fb8283..8e2028005 100644 --- a/proto.h +++ b/proto.h @@ -941,13 +941,13 @@ int check_if_absorbed_photons_can_be_reemitted_into_same_band(int kfreq); double rt_absorb_frac_albedo(int j, int k_freq); double rt_absorption_rate(int i, int k_freq); double rt_diffusion_coefficient(int i, int k_freq); -MyFloat dust_planck_mean_opacity(MyFloat Trad, MyFloat Tdust); void rt_eddington_update_calculation(int j); void rt_update_driftkick(int i, double dt_entr, int mode); #endif #ifdef RT_SOURCE_INJECTION void rt_source_injection(void); #endif +MyFloat dust_planck_mean_opacity(MyFloat Trad, MyFloat Tdust); #ifdef RADTRANSFER void rt_set_simple_inits(int RestartFlag); diff --git a/test/__pycache__/test_trivial.cpython-313-pytest-8.4.2.pyc b/test/__pycache__/test_trivial.cpython-313-pytest-8.4.2.pyc new file mode 100644 index 0000000000000000000000000000000000000000..fe05d677caab98c3cc753bf86efa38e872a33200 GIT binary patch literal 670 zcmZ8ePiqrF6o0duHffWzqV!Nf90Z|@n60H=M2ZD_=|T^#J@qiG*-044{^89=o17{L z_0S&u5F+?_bgn%}Z-xB=zS+$N@xlCl@4b0{XUcwm9Y}sY`=Q!zx;3=@DXv z=7FHqlc*5#JfB2qRM3s*m@Z|Dy6|po)M0ztuE)9A^G~U(_LDJAV>R@LSuFjrnkSi1 z$;h`aS%FwQ^B|v@p7k~k>`@{6s`?SZ1^nu6UIf?sm%(N5Irv(!)vZ-h0C*kK79!4u zLYU5nshSij)uw0XTw2?r-g!_@POA)1enM49v$k}Z_QHqu2dXi?1NN=nB`}@WNfu8h d@&LEUw7;hB6WqCsvET6c55N~Ffw6m4&R Makefile.systype +make + +mpirun ./GIZMO \ No newline at end of file diff --git a/test/gmc_cooling/test_build.sh b/test/gmc_cooling/test_build.sh index 26972fdef..61dfff649 100644 --- a/test/gmc_cooling/test_build.sh +++ b/test/gmc_cooling/test_build.sh @@ -1,5 +1,3 @@ # script to build GIZMO for the test; should be run from the gizmo source code root directory -TEST_NAME="gmc_cooling" -cp test/$TEST_NAME/Config.sh . -echo 'SYSTYPE="Ubuntu"' > Makefile.systype \ No newline at end of file +TEST_NAME="gmc_cooling" \ No newline at end of file diff --git a/test/gmc_cooling/test_trivial.py b/test/gmc_cooling/test_trivial.py new file mode 100644 index 000000000..2286c69f6 --- /dev/null +++ b/test/gmc_cooling/test_trivial.py @@ -0,0 +1,4 @@ +"""A trivial test for pytest""" + +def test_trivial(): + assert True \ No newline at end of file diff --git a/test/trivial/__pycache__/test_trivial.cpython-313-pytest-8.4.2.pyc b/test/trivial/__pycache__/test_trivial.cpython-313-pytest-8.4.2.pyc new file mode 100644 index 0000000000000000000000000000000000000000..636c518c9041a9df0d7e18712db635708105ea52 GIT binary patch literal 678 zcmZ8eOKTKC5U!rtWH;H}L<}Axh>aj*5O-qGOAs-jmki|Km{ShTxYN5d>^!KR)$E=k z1mZ!D{suijN%4u_jS^yATY^@`+g3tDm-rQ9RsD};a$ zvd{?_I+b*fJKEuJyoT!>Lia9Ucj|bZi{V`vsEklCzm|`6Xmit zx0RBGkirza&dJ;5R;0DWf_FS~I5&s>DRtF;GR1kU#{M{qr9V~6Boiu` z`1X>1bKwez28{BB8CY*?zyTGs*VXrkUBJ)&_C@gJ=~ZwQd<;HS(&`qK6aZe&bcKks zu@I*BZmwp9O0^l-c~@vx)Vq)B4QQni$`7atX*O0S(`{^Mf1(=W8{p9DePX8fJjvqu eOuoQ71nuwX+r(~M#@H{o{|Dd_N?`0(mGc)I45vK+ literal 0 HcmV?d00001 From 46e2a3f84e2b51593dca994b093f8150d042edce Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 14:49:53 -0400 Subject: [PATCH 20/90] pycache cleanup --- .../test_trivial.cpython-313-pytest-8.4.2.pyc | Bin 670 -> 0 bytes .../test_trivial.cpython-313-pytest-8.4.2.pyc | Bin 678 -> 0 bytes 2 files changed, 0 insertions(+), 0 deletions(-) delete mode 100644 test/__pycache__/test_trivial.cpython-313-pytest-8.4.2.pyc delete mode 100644 test/trivial/__pycache__/test_trivial.cpython-313-pytest-8.4.2.pyc diff --git a/test/__pycache__/test_trivial.cpython-313-pytest-8.4.2.pyc b/test/__pycache__/test_trivial.cpython-313-pytest-8.4.2.pyc deleted file mode 100644 index fe05d677caab98c3cc753bf86efa38e872a33200..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 670 zcmZ8ePiqrF6o0duHffWzqV!Nf90Z|@n60H=M2ZD_=|T^#J@qiG*-044{^89=o17{L z_0S&u5F+?_bgn%}Z-xB=zS+$N@xlCl@4b0{XUcwm9Y}sY`=Q!zx;3=@DXv z=7FHqlc*5#JfB2qRM3s*m@Z|Dy6|po)M0ztuE)9A^G~U(_LDJAV>R@LSuFjrnkSi1 z$;h`aS%FwQ^B|v@p7k~k>`@{6s`?SZ1^nu6UIf?sm%(N5Irv(!)vZ-h0C*kK79!4u zLYU5nshSij)uw0XTw2?r-g!_@POA)1enM49v$k}Z_QHqu2dXi?1NN=nB`}@WNfu8h d@&LEUw7;hB6WqCsvET6c55N~Ffw6m4&Raj*5O-qGOAs-jmki|Km{ShTxYN5d>^!KR)$E=k z1mZ!D{suijN%4u_jS^yATY^@`+g3tDm-rQ9RsD};a$ zvd{?_I+b*fJKEuJyoT!>Lia9Ucj|bZi{V`vsEklCzm|`6Xmit zx0RBGkirza&dJ;5R;0DWf_FS~I5&s>DRtF;GR1kU#{M{qr9V~6Boiu` z`1X>1bKwez28{BB8CY*?zyTGs*VXrkUBJ)&_C@gJ=~ZwQd<;HS(&`qK6aZe&bcKks zu@I*BZmwp9O0^l-c~@vx)Vq)B4QQni$`7atX*O0S(`{^Mf1(=W8{p9DePX8fJjvqu eOuoQ71nuwX+r(~M#@H{o{|Dd_N?`0(mGc)I45vK+ From aa81985aba33d15f79d40c229925e67f78f18161 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 14:51:34 -0400 Subject: [PATCH 21/90] pycache cleanup --- test/gmc_cooling/test_trivial.py | 4 ---- 1 file changed, 4 deletions(-) delete mode 100644 test/gmc_cooling/test_trivial.py diff --git a/test/gmc_cooling/test_trivial.py b/test/gmc_cooling/test_trivial.py deleted file mode 100644 index 2286c69f6..000000000 --- a/test/gmc_cooling/test_trivial.py +++ /dev/null @@ -1,4 +0,0 @@ -"""A trivial test for pytest""" - -def test_trivial(): - assert True \ No newline at end of file From 95060a685b4b2ffb766f1ce107d97524a2af4de4 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 14:54:40 -0400 Subject: [PATCH 22/90] gmc cooling test --- test/gmc_cooling/test_gmc_cooling.py | 9 +++++++++ 1 file changed, 9 insertions(+) create mode 100644 test/gmc_cooling/test_gmc_cooling.py diff --git a/test/gmc_cooling/test_gmc_cooling.py b/test/gmc_cooling/test_gmc_cooling.py new file mode 100644 index 000000000..d9c1bd39b --- /dev/null +++ b/test/gmc_cooling/test_gmc_cooling.py @@ -0,0 +1,9 @@ +"""A trivial test for pytest""" + +from os import system, environ + + +def test_trivial(): + environ["TEST_NAME"] = "gmc_cooling" + system("bash test/build_gizmo_for_test.sh") + assert True From 3c3ffe1919a261e56a04b1356b050ec44956091a Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 18:13:51 -0400 Subject: [PATCH 23/90] test modules for building GIZMO for a given test, downloading ICs and params, and running the test --- Makefile.systype | 53 -------------------------- pyproject.toml | 14 +++---- python_src/gizmo/test.py | 56 ++++++++++++++++++++++++++++ test/build.py | 7 ---- test/build_gizmo_for_test.sh | 6 +-- test/gmc_cooling/test_build.sh | 3 -- test/gmc_cooling/test_gmc_cooling.py | 12 +++--- 7 files changed, 72 insertions(+), 79 deletions(-) create mode 100644 python_src/gizmo/test.py delete mode 100644 test/build.py delete mode 100644 test/gmc_cooling/test_build.sh diff --git a/Makefile.systype b/Makefile.systype index aada74007..23cc0bece 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -1,54 +1 @@ -# Select Target Computer -# -# Please copy this file to Makefile.systype and uncomment your -# system. Don't commit changes to this file unless you add support for -# a new system. -# -############# - -#SYSTYPE="Frontera" -#SYSTYPE="Stampede2" -#SYSTYPE="Bridges2" -#SYSTYPE="Anvil" -#SYSTYPE="Wheeler" -#SYSTYPE="CaltechHPC" -#SYSTYPE="MacBookPro" SYSTYPE="MacBookCellar" -#SYSTYPE="Quest" -#SYSTYPE="Quest-intel" -#SYSTYPE="TSCC" -#SYSTYPE="Expanse" -#SYSTYPE="Iron" -#SYSTYPE="RUSTY" -#SYSTYPE="Darter" -#SYSTYPE="Comet" -#SYSTYPE="Gordon" -#SYSTYPE="odyssey" -#SYSTYPE="antares" -#SYSTYPE="Pleiades" -#SYSTYPE="Mira" -#SYSTYPE="Titan" -#SYSTYPE="Edison" -#SYSTYPE="SciNet" -#SYSTYPE="Ranger_intel" -#SYSTYPE="Ranger_pgi" -#SYSTYPE="Darwin" -#SYSTYPE="Magny" -#SYSTYPE="Magny-Intel" -#SYSTYPE="OpenSuse" -#SYSTYPE="OpenSuse64" -#SYSTYPE="HLRB2" -#SYSTYPE="MPA" -#SYSTYPE="VIP" -#SYSTYPE="Ubuntu" -#SYSTYPE="MBM" -#SYSTYPE="OpteronMPA-Gnu" -#SYSTYPE="OpteronMPA-Intel" -#SYSTYPE="Centos5-intel" -#SYSTYPE="Kolob" -#SYSTYPE="Centos5-Gnu" -#SYSTYPE="OPA-Cluster64-Intel" -#SYSTYPE="Stampede" -#SYSTYPE="Zwicky" -#SYSTYPE="BlueWaters" -#SYSTYPE="PopOS" \ No newline at end of file diff --git a/pyproject.toml b/pyproject.toml index 03d1d738f..f9478637b 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -2,13 +2,10 @@ requires = ["setuptools >= 77.0.3"] build-backend = "setuptools.build_meta" -[tool.setuptools] -packages = ["test"] - [project] -name = "gizmo_test" +name = "gizmo" version = "0.1" -description = "pytest testing for gizmo" +description = "Tests and help scripts for the gizmo mesh-free multi-physics code" readme = "README.md" requires-python = ">=3.10" classifiers = [ @@ -20,5 +17,8 @@ dependencies = ["pytest",] license = "MIT" [project.urls] -Homepage = "https://github.com/mikegrudic/gizmo_imf" -Issues = "https://github.com/mikegrudic/gizmo_imf/issues" \ No newline at end of file +Homepage = "https://github.com/phopkins/gizmo" +Issues = "https://github.com/phopkins/gizmo/issues" + +[tool.setuptools.packages.find] +where = ["python_src"] \ No newline at end of file diff --git a/python_src/gizmo/test.py b/python_src/gizmo/test.py new file mode 100644 index 000000000..71e80e1bc --- /dev/null +++ b/python_src/gizmo/test.py @@ -0,0 +1,56 @@ +"""General routines to build gizmo for a test and obtain ICs and params files""" + +from os import system, environ, path +from urllib.request import urlretrieve, HTTPError + + +def build_gizmo_for_test(test_name: str): + """Sets environment variables and runs a script for building gizmo for a given test""" + environ["TEST_NAME"] = test_name + system("bash test/build_gizmo_for_test.sh") + + +def download_test_files(test_name: str): + """Downloads the ICs and parameter files for a test of a given name""" + + website_path = "http://www.tapir.caltech.edu/~phopkins/sims/" + website_path2 = f"https://users.flatironinstitute.org/~mgrudic/gizmo_tests/{test_name}/" + + # Note: we are assuming a convention for the test ICs, params, and exact values + paramsfile = f"{test_name}.params" + icfile = f"{test_name}_ics.hdf5" + exactfile = f"{test_name}_exact.txt" # exact solution (might not exist!) + + for f in paramsfile, icfile, exactfile: + try: + urlretrieve(website_path + f, f) + except HTTPError as err: + try: + urlretrieve(website_path2 + f, f) + except HTTPError as err: + print(f"Could not find {f} at {website_path} or {website_path2}") + + if not (path.isfile(icfile) and path.isfile(icfile)): + raise (FileNotFoundError(f"Could not find ICs and params for test {test_name}")) + + +def run_test(test_name: str): + """Runs the test""" + paramsfile = f"{test_name}.params" + system(f"mpirun ./GIZMO {paramsfile} 0 1>test_{test_name}.out 2>test_{test_name}.err") + + +def get_cooling_tables(): + """Downloads spcool_tables.tar.gz and copies TREECOOL to test directory""" + + url = "https://users.flatironinstitute.org/~mgrudic/gizmo_tests/spcool_tables.tgz" + urlretrieve(url, "./spcool_tables.tgz") + system("tar -xvf spcool_tables.tgz") + system("cp cooling/TREECOOL .") + + +def build_and_run_test(test_name: str): + """Top-level routine that does all necessary building, downloading, and running of the test""" + build_gizmo_for_test(test_name) + download_test_files(test_name) + run_test(test_name) diff --git a/test/build.py b/test/build.py deleted file mode 100644 index 76ad6e41c..000000000 --- a/test/build.py +++ /dev/null @@ -1,7 +0,0 @@ -"""Boilerplate routine to build gizmo for a test""" - -from os import system - - -def build_gizmo_for_test(): - system("bash test/build_gizmo_for_test.sh") diff --git a/test/build_gizmo_for_test.sh b/test/build_gizmo_for_test.sh index 8cd83cbf0..0fd7fbb55 100644 --- a/test/build_gizmo_for_test.sh +++ b/test/build_gizmo_for_test.sh @@ -1,7 +1,5 @@ # Generic commands to build GIZMO for a given test -cp test/$TEST_NAME/Config.sh . -echo 'SYSTYPE="Ubuntu"' > Makefile.systype +cp test/$TEST_NAME/Config.sh . # retrieve the config file +echo 'SYSTYPE="MacBookCellar"' > Makefile.systype # update makefile.systype make - -mpirun ./GIZMO \ No newline at end of file diff --git a/test/gmc_cooling/test_build.sh b/test/gmc_cooling/test_build.sh deleted file mode 100644 index 61dfff649..000000000 --- a/test/gmc_cooling/test_build.sh +++ /dev/null @@ -1,3 +0,0 @@ -# script to build GIZMO for the test; should be run from the gizmo source code root directory - -TEST_NAME="gmc_cooling" \ No newline at end of file diff --git a/test/gmc_cooling/test_gmc_cooling.py b/test/gmc_cooling/test_gmc_cooling.py index d9c1bd39b..4d1a7b7f3 100644 --- a/test/gmc_cooling/test_gmc_cooling.py +++ b/test/gmc_cooling/test_gmc_cooling.py @@ -1,9 +1,11 @@ -"""A trivial test for pytest""" +"""GMC cooling and chemistry test""" -from os import system, environ +from gizmo.test import build_and_run_test, get_cooling_tables +from os import system -def test_trivial(): - environ["TEST_NAME"] = "gmc_cooling" - system("bash test/build_gizmo_for_test.sh") +def test_gmc_cooling(): + test_name = "gmc_cooling" + get_cooling_tables() + build_and_run_test(test_name) assert True From e29edaed662a16b19ab5083cb4d9699e8181dcaf Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 18:19:04 -0400 Subject: [PATCH 24/90] error handling for test build --- Makefile.systype | 55 +++++++++++++++++++++++++++++++++++++++- python_src/gizmo/test.py | 2 ++ 2 files changed, 56 insertions(+), 1 deletion(-) diff --git a/Makefile.systype b/Makefile.systype index 23cc0bece..20a821bfa 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -1 +1,54 @@ -SYSTYPE="MacBookCellar" +# Select Target Computer +# +# Please copy this file to Makefile.systype and uncomment your +# system. Don't commit changes to this file unless you add support for +# a new system. +# +############# + +SYSTYPE="Frontera" +#SYSTYPE="Stampede2" +#SYSTYPE="Bridges2" +#SYSTYPE="Anvil" +#SYSTYPE="Wheeler" +#SYSTYPE="CaltechHPC" +#SYSTYPE="MacBookPro" +#SYSTYPE="MacBookCellar" +#SYSTYPE="Quest" +#SYSTYPE="Quest-intel" +#SYSTYPE="TSCC" +#SYSTYPE="Expanse" +#SYSTYPE="Iron" +#SYSTYPE="RUSTY" +#SYSTYPE="Darter" +#SYSTYPE="Comet" +#SYSTYPE="Gordon" +#SYSTYPE="odyssey" +#SYSTYPE="antares" +#SYSTYPE="Pleiades" +#SYSTYPE="Mira" +#SYSTYPE="Titan" +#SYSTYPE="Edison" +#SYSTYPE="SciNet" +#SYSTYPE="Ranger_intel" +#SYSTYPE="Ranger_pgi" +#SYSTYPE="Darwin" +#SYSTYPE="Magny" +#SYSTYPE="Magny-Intel" +#SYSTYPE="OpenSuse" +#SYSTYPE="OpenSuse64" +#SYSTYPE="HLRB2" +#SYSTYPE="MPA" +#SYSTYPE="VIP" +#SYSTYPE="Ubuntu" +#SYSTYPE="MBM" +#SYSTYPE="OpteronMPA-Gnu" +#SYSTYPE="OpteronMPA-Intel" +#SYSTYPE="Centos5-intel" +#SYSTYPE="Kolob" +#SYSTYPE="Centos5-Gnu" +#SYSTYPE="OPA-Cluster64-Intel" +#SYSTYPE="Stampede" +#SYSTYPE="Zwicky" +#SYSTYPE="BlueWaters" +#SYSTYPE="PopOS" \ No newline at end of file diff --git a/python_src/gizmo/test.py b/python_src/gizmo/test.py index 71e80e1bc..88c7ac6bc 100644 --- a/python_src/gizmo/test.py +++ b/python_src/gizmo/test.py @@ -8,6 +8,8 @@ def build_gizmo_for_test(test_name: str): """Sets environment variables and runs a script for building gizmo for a given test""" environ["TEST_NAME"] = test_name system("bash test/build_gizmo_for_test.sh") + if not path.isfile("GIZMO"): + raise FileNotFoundError("Did not successfully build GIZMO") def download_test_files(test_name: str): From 6c8e5da0fd10f07e4e3ce0099055a47a669997c4 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 18:20:28 -0400 Subject: [PATCH 25/90] error handling for test build --- test/build_gizmo_for_test.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/test/build_gizmo_for_test.sh b/test/build_gizmo_for_test.sh index 0fd7fbb55..521794218 100644 --- a/test/build_gizmo_for_test.sh +++ b/test/build_gizmo_for_test.sh @@ -1,5 +1,5 @@ # Generic commands to build GIZMO for a given test cp test/$TEST_NAME/Config.sh . # retrieve the config file -echo 'SYSTYPE="MacBookCellar"' > Makefile.systype # update makefile.systype +echo 'SYSTYPE="Ubuntu"' > Makefile.systype # update makefile.systype make From f6a61946db8f6dc9641f4121a5174840c4216042 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 18:30:10 -0400 Subject: [PATCH 26/90] build libraries --- .github/workflows/test.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index f259acada..49dd1452f 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -31,7 +31,7 @@ jobs: with: mpi: openmpi - name: Install libraries - run: sudo apt install libgsl-dev libhdf5-dev + run: sudo apt install libgsl-dev hdf5-devel - name: Test with pytest run: | pytest From 4925f69244ddfa6871cc86b6c9388e5b5f2c52fb Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 18:31:41 -0400 Subject: [PATCH 27/90] build libraries --- .github/workflows/test.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 49dd1452f..415722d9d 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -31,7 +31,7 @@ jobs: with: mpi: openmpi - name: Install libraries - run: sudo apt install libgsl-dev hdf5-devel + run: sudo apt install libgsl-dev libhdf5-mpi-dev - name: Test with pytest run: | pytest From 4ca17147f372a6bc301df2a27e3332eba1c11102 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 18:32:36 -0400 Subject: [PATCH 28/90] build libraries --- .github/workflows/test.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 415722d9d..7eb28c7de 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -31,7 +31,7 @@ jobs: with: mpi: openmpi - name: Install libraries - run: sudo apt install libgsl-dev libhdf5-mpi-dev + run: sudo apt install libhdf5-openmpi-dev libgsl-dev - name: Test with pytest run: | pytest From 596d706b724bda05a285f1d3aee38e8b14660843 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 18:33:58 -0400 Subject: [PATCH 29/90] build libraries --- test/build_gizmo_for_test.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/test/build_gizmo_for_test.sh b/test/build_gizmo_for_test.sh index 521794218..df6794ace 100644 --- a/test/build_gizmo_for_test.sh +++ b/test/build_gizmo_for_test.sh @@ -1,5 +1,5 @@ # Generic commands to build GIZMO for a given test cp test/$TEST_NAME/Config.sh . # retrieve the config file -echo 'SYSTYPE="Ubuntu"' > Makefile.systype # update makefile.systype +echo 'SYSTYPE="PopOS"' > Makefile.systype # update makefile.systype make From 0de3c2cdb02ebcdf1c18ac96b40351715ee94511 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 9 Mar 2026 19:31:28 -0400 Subject: [PATCH 30/90] ubuntu makefile --- Makefile | 2 +- test/build_gizmo_for_test.sh | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/Makefile b/Makefile index 1a0f9b241..3be2de78e 100644 --- a/Makefile +++ b/Makefile @@ -570,7 +570,7 @@ OPT += -DDISABLE_ALIGNED_ALLOC -DCHIMES_USE_DOUBLE_PRECISION # endif #---------------------------- -ifeq ($(SYSTYPE),"PopOS") +ifeq ($(SYSTYPE),"Ubuntu") CC = mpicc CXX = mpiccxx FC = $(CC) diff --git a/test/build_gizmo_for_test.sh b/test/build_gizmo_for_test.sh index df6794ace..521794218 100644 --- a/test/build_gizmo_for_test.sh +++ b/test/build_gizmo_for_test.sh @@ -1,5 +1,5 @@ # Generic commands to build GIZMO for a given test cp test/$TEST_NAME/Config.sh . # retrieve the config file -echo 'SYSTYPE="PopOS"' > Makefile.systype # update makefile.systype +echo 'SYSTYPE="Ubuntu"' > Makefile.systype # update makefile.systype make From 7a3dd5965b83d0b7bcb2799aa28dd94e23498281 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Tue, 10 Mar 2026 16:09:27 -0400 Subject: [PATCH 31/90] test: check that gmc_cooling test ran successfully --- Makefile.systype | 4 ++-- test/build_gizmo_for_test.sh | 2 +- test/gmc_cooling/test_gmc_cooling.py | 4 +++- 3 files changed, 6 insertions(+), 4 deletions(-) diff --git a/Makefile.systype b/Makefile.systype index 20a821bfa..7504ff042 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -6,7 +6,7 @@ # ############# -SYSTYPE="Frontera" +#SYSTYPE="Frontera" #SYSTYPE="Stampede2" #SYSTYPE="Bridges2" #SYSTYPE="Anvil" @@ -40,7 +40,7 @@ SYSTYPE="Frontera" #SYSTYPE="HLRB2" #SYSTYPE="MPA" #SYSTYPE="VIP" -#SYSTYPE="Ubuntu" +SYSTYPE="Ubuntu" #SYSTYPE="MBM" #SYSTYPE="OpteronMPA-Gnu" #SYSTYPE="OpteronMPA-Intel" diff --git a/test/build_gizmo_for_test.sh b/test/build_gizmo_for_test.sh index 521794218..fb9c27367 100644 --- a/test/build_gizmo_for_test.sh +++ b/test/build_gizmo_for_test.sh @@ -1,5 +1,5 @@ # Generic commands to build GIZMO for a given test cp test/$TEST_NAME/Config.sh . # retrieve the config file -echo 'SYSTYPE="Ubuntu"' > Makefile.systype # update makefile.systype +#echo 'SYSTYPE="Ubuntu"' > Makefile.systype # update makefile.systype make diff --git a/test/gmc_cooling/test_gmc_cooling.py b/test/gmc_cooling/test_gmc_cooling.py index 4d1a7b7f3..a547ab529 100644 --- a/test/gmc_cooling/test_gmc_cooling.py +++ b/test/gmc_cooling/test_gmc_cooling.py @@ -1,11 +1,13 @@ """GMC cooling and chemistry test""" from gizmo.test import build_and_run_test, get_cooling_tables -from os import system +from os import system, path def test_gmc_cooling(): test_name = "gmc_cooling" get_cooling_tables() build_and_run_test(test_name) + if not path.isfile("output/snapshot_010.hdf5"): + assert False assert True From e61f9c8b590142e109147ce252c19bdc58437012 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Tue, 10 Mar 2026 17:04:12 -0400 Subject: [PATCH 32/90] test: fully implemented gmc cooling test --- pyproject.toml | 4 +- python_src/gizmo/compress_gizmosnap.py | 59 +++ python_src/gizmo/load_from_snapshot.py | 314 ++++++++++++++++ python_src/gizmo/make_IC.py | 166 ++++++++ python_src/gizmo/readsnap.py | 501 +++++++++++++++++++++++++ python_src/gizmo/test.py | 3 +- test/gmc_cooling/test_gmc_cooling.py | 40 +- 7 files changed, 1082 insertions(+), 5 deletions(-) create mode 100644 python_src/gizmo/compress_gizmosnap.py create mode 100644 python_src/gizmo/load_from_snapshot.py create mode 100644 python_src/gizmo/make_IC.py create mode 100644 python_src/gizmo/readsnap.py diff --git a/pyproject.toml b/pyproject.toml index f9478637b..8ff6faf0a 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -5,14 +5,14 @@ build-backend = "setuptools.build_meta" [project] name = "gizmo" version = "0.1" -description = "Tests and help scripts for the gizmo mesh-free multi-physics code" +description = "Tests and helper scripts for the gizmo mesh-free multi-physics code" readme = "README.md" requires-python = ">=3.10" classifiers = [ "Programming Language :: Python :: 3", "Operating System :: OS Independent", ] -dependencies = ["pytest",] +dependencies = ["pytest","h5py","matplotlib","astropy","numpy", "scipy"] license = "MIT" diff --git a/python_src/gizmo/compress_gizmosnap.py b/python_src/gizmo/compress_gizmosnap.py new file mode 100644 index 000000000..04666e343 --- /dev/null +++ b/python_src/gizmo/compress_gizmosnap.py @@ -0,0 +1,59 @@ +import os +import sys +import h5py +import argparse +import functools +import tempfile + +## this is the core compression subroutine +def copy_level0(fs, fd, name, node): + if isinstance(node, h5py.Dataset): + # create the new dataset, defaulting to gzip level 4 compression, + # including chunking/shuffle options, which work well. + dnew = fd.create_dataset(name, data=node, dtype=node.dtype, chunks=True, + shuffle=True, compression="gzip", compression_opts=4, fletcher32=True); + print(' ..dataset {} ({}) compressed'.format(name,node.dtype)); + elif isinstance(node, h5py.Group) and name == 'Header': + # header entries don't get compressed, but are negligible for storage + fs.copy(name, fd, name=name); + print(' Header copied'); + else: + print(' Group {}'.format(name)); + +## this is the main loop, called by parser, which does all the os-level operations +def main(filename): + print('Losslessly compressing snapshot {}'.format(filename)); # start + fs = h5py.File(filename, 'r'); # open file + # check that the file has not already been compressed, in which case, exit + if('CompactLevel' in fs['Header'].attrs): + print(' .. this snapshot has already been compressed, done'); + fs.close(); + return; + # create a temporary working file for intermediate steps + tmpfilename = filename+'__tmp__'; + fd = h5py.File(tmpfilename, 'w'); + # recursively do the work here on the entries (call and compress) + copy_datasets = functools.partial(copy_level0, fs, fd); + fs.visititems(copy_datasets); + # encode that the file is compressed, so it can be skipped in future + fd['Header'].attrs['CompactLevel'] = 0; + # close and rename temp file to replace original file + fd.close(); fs.close(); os.rename(tmpfilename,filename); + print(' Completed'); + return; + +## this is the parser, meant to be called from the command-line +if __name__ == '__main__': + parser = argparse.ArgumentParser( + description='Losslessly compress GIZMO hdf5 snapshots.' + '(c) R. Feldmann 2017, modified by PFH 2020') + parser.add_argument('filename', help='hdf5 file to be compactified ' + '(file will be over-written)') + + if len(sys.argv[1:]) == 0: + print('Error: {} requires more parameters'.format(__file__)); + parser.print_help(); + parser.exit(); + + args = parser.parse_args(); + main(args.filename) diff --git a/python_src/gizmo/load_from_snapshot.py b/python_src/gizmo/load_from_snapshot.py new file mode 100644 index 000000000..194cb314f --- /dev/null +++ b/python_src/gizmo/load_from_snapshot.py @@ -0,0 +1,314 @@ +import h5py +import numpy +import os +## This file was written by Phil Hopkins (phopkins@caltech.edu) for GIZMO ## + + +def load_from_snapshot(value,ptype,sdir,snum,particle_mask=numpy.zeros(0),axis_mask=numpy.zeros(0), + units_to_physical=True,four_char=False,snapshot_name='snapshot',snapdir_name='snapdir',extension='.hdf5'): + ''' + + The routine 'load_from_snapshot' is designed to load quantities directly from GIZMO + snapshots in a robust manner, independent of the detailed information actually saved + in the snapshot. It is able to do this because of how HDF5 works, so it --only-- + works for HDF5-format snapshots [For binary-format, you need to know -exactly- the + datasets saved and their order in the file, which means you cannot do this, and should + use the 'readsnap.py' routine instead.] + + The routine automatically handles multi-part snapshot files for you (concatenating). + This should work with both python2.x and python3.x + + Syntax: + loaded_value = load_from_snapshot(value,ptype,sdir,snum,....) + + For example, to load the coordinates of gas (type=0) elements in the file + snapshot_001.hdf5 (snum=1) located in the active directory ('.'), just call + xyz_coordinates = load_from_snapshot('Coordinates',0,'.',1) + + More details and examples are given in the GIZMO user guide. + + Arguments: + value: the value to extract from the HDF5 file. this is a string with the same name + as in the HDF5 file. if you arent sure what those values might be, setting + value to 'keys' will return a list of all the HDF5 keys for the chosen + particle type, or 'header_keys' will return all the keys in the header. + (example: 'Time' returns the simulation time in code units (single scalar). + 'Coordinates' will return the [x,y,z] coordinates in an [N,3] + matrix for the N resolution elements of the chosen type) + + ptype: element type (int) = 0[gas],1,2,3,4,5[meaning depends on simulation, see + user guide for details]. if your chosen 'value' is in the file header, + this will be ignored + + sdir: parent directory (string) of the snapshot file or immediate snapshot + sub-directory if it is a multi-part file + + snum: number (int) of the snapshot. e.g. snapshot_001.hdf5 is '1' + Note for multi-part files, this is just the number of the 'set', i.e. + if you have snapshot_001.N.hdf5, set this to '1', not 'N' or '1.N' + + Optional: + particle_mask: if set to a mask (boolean array), of length N where N is the number + of elements of the desired ptype, will return only those elements + + axis_mask: if set to a mask (boolean array), return only the chosen -axis-. this + is useful for some quantities like metallicity fields, with [N,X] dimensions + where X is large (lets you choose to read just one of the "X") + + units_to_physical: default 'True': code will auto-magically try to detect if the + simulation is cosmological by comparing time and redshift information in the + snapshot, and if so, convert units to physical. if you want default snapshot units + set this to 'False' + + four_char: default numbering is that snapshots with numbers below 1000 have + three-digit numbers. if they were numbered with four digits (e.g. snapshot_0001), + set this to 'True' (default False) + + snapshot_name: default 'snapshot': the code will automatically try a number of + common snapshot and snapshot-directory prefixes. but it can't guess all of them, + especially if you use an unusual naming convention, e.g. naming your snapshots + 'xyzBearsBeetsBattleStarGalactica_001.hdf5'. In that case set this to the + snapshot name prefix (e.g. 'xyzBearsBeetsBattleStarGalactica') + + snapdir_name: default 'snapdir': like 'snapshot_name', set this if you use a + non-standard prefix for snapshot subdirectories (directories holding multi-part + snapshots pieces) + + extension: default 'hdf5': again like 'snapshot' set if you use a non-standard + extension (it checks multiply options like 'h5' and 'hdf5' and 'bin'). but + remember the file must actually be hdf5 format! + + ''' + + + + # attempt to verify if a file with this name and directory path actually exists + fname,fname_base,fname_ext = check_if_filename_exists(sdir,snum,\ + snapshot_name=snapshot_name,snapdir_name=snapdir_name,extension=extension,four_char=four_char) + # if no valid file found, give up + if(fname=='NULL'): + print('Could not find a valid file with this path/name/extension - please check these settings') + return 0 + # check if file has the correct extension + if(fname_ext!=extension): + print('File has the wrong extension, you specified ',extension,' but found ',fname_ext,' - please specify this if it is what you actually want') + return 0 + # try to open the file + try: + file = h5py.File(fname,'r') # Open hdf5 snapshot file + except: + print('Unexpected error: could not read hdf5 file ',fname,' . Please check the format, name, and path information is correct') + return 0 + + # try to parse the header + try: + header_toparse = file["Header"].attrs # Load header dictionary (to parse below) + except: + print('Was able to open the file but not the header, please check this is a valid GIZMO hdf5 file') + file.close() + return 0 + # check if desired value is contained in header -- if so just return it and exit + if(value=='header_keys')|(value=='Header_Keys')|(value=='HEADER_KEYS')|(value=='headerkeys')|(value=='HeaderKeys')|(value=='HEADERKEYS')|((value=='keys' and not (ptype == 0 or ptype == 1 or ptype == 2 or ptype == 3 or ptype == 4 or ptype == 5))): + q = header_toparse.keys() + print('Returning list of keys from header, includes: ',q) + file.close() + return q + if(value in header_toparse): + q = header_toparse[value] # value contained in header, no need to go further + file.close() + return q + + # ok desired quantity is not in the header, so we need to go into the particle data + + # check that a valid particle type is specified + if not (ptype == 0 or ptype == 1 or ptype == 2 or ptype == 3 or ptype == 4 or ptype == 5): + print('Particle type needs to be an integer = 0,1,2,3,4,5. Returning 0') + file.close() + return 0 + # check that the header contains the expected data needed to parse the file + if not ('NumFilesPerSnapshot' in header_toparse and 'NumPart_Total' in header_toparse + and 'Time' in header_toparse and 'Redshift' in header_toparse + and 'HubbleParam' in header_toparse and 'NumPart_ThisFile' in header_toparse): + print('Header appears to be missing critical information. Please check that this is a valid GIZMO hdf5 file') + file.close() + return 0 + # parse data needed for checking sub-files + numfiles = header_toparse["NumFilesPerSnapshot"] + npartTotal = header_toparse["NumPart_Total"] + if(npartTotal[ptype]<1): + print('No particles of designated type exist in this snapshot, returning 0') + file.close() + return 0 + # parse data needed for converting units [if necessary] + if(units_to_physical): + time = header_toparse["Time"] + z = header_toparse["Redshift"] + hubble = header_toparse["HubbleParam"] + cosmological = False + ascale = 1.0; + # attempt to guess if this is a cosmological simulation from the agreement or lack thereof between time and redshift. note at t=1,z=0, even if non-cosmological, this won't do any harm + if(numpy.abs(time*(1.+z)-1.) < 1.e-6): + cosmological=True; ascale=time; + # close the initial header we are parsing + file.close() + + # now loop over all snapshot segments to identify and extract the relevant particle data + check_counter = 0 + for i_file in range(numfiles): + # augment snapshot sub-set number + if (numfiles>1): fname = fname_base+'.'+str(i_file)+fname_ext + # check for existence of file + if(os.stat(fname).st_size>0): + # exists, now try to read it + try: + file = h5py.File(fname,'r') # Open hdf5 snapshot file + except: + print('Unexpected error: could not read hdf5 file ',fname,' . Please check the format, name, and path information is correct, and that this file is not corrupted') + return 0 + # read in, now attempt to parse. first check for needed information on particle number + npart = file["Header"].attrs["NumPart_ThisFile"] + if(npart[ptype] > 1): + # return particle key data, if requested + if((value=='keys')|(value=='Keys')|(value=='KEYS')): + q = file['PartType'+str(ptype)].keys() + print('Returning list of valid keys for this particle type: ',q) + file.close() + return q + # check if requested data actually exists as a valid keyword in the file + if not (value in file['PartType'+str(ptype)].keys()): + print('The value ',value,' given does not appear to exist in the file ',fname," . Please check that you have specified a valid keyword. You can run this routine with the value 'keys' to return a list of valid value keys. Returning 0") + file.close() + return 0 + # now actually read the data + axis_mask = numpy.array(axis_mask) + if(axis_mask.size > 0): + q_t = numpy.array(file['PartType'+str(ptype)+'/'+value+'/']).take(axis_mask,axis=1) + else: + q_t = numpy.array(file['PartType'+str(ptype)+'/'+value+'/']) + # check data has non-zero size + if(q_t.size > 0): + # if this is the first time we are actually reading it, parse it and determine the shape of the vector, to build the data container + if(check_counter == 0): + qshape=numpy.array(q_t.shape); qshape[0]=0; q=numpy.zeros(qshape); check_counter+=1; + # add the data to our appropriately-shaped container, now + try: + q = numpy.concatenate([q,q_t],axis=0) + except: + print('Could not concatenate data for ',value,' in file ',fname,' . The format appears to be inconsistent across your snapshots or with the usual GIZMO conventions. Please check this is a valid GIZMO snapshot file.') + file.close() + return 0 + file.close() + else: + print('Expected file ',fname,' appears to be missing. Check if your snapshot has the complete data set here') + + # convert units if requested by the user. note this only does a few obvious units: there are many possible values here which cannot be anticipated! + if(units_to_physical): + hinv=1./hubble; rconv=ascale*hinv; + if((value=='Coordinates')|(value=='SmoothingLength')): q*=rconv; # comoving length + if(value=='Velocities'): q *= numpy.sqrt(ascale); # special comoving velocity units + if((value=='Density')|(value=='Pressure')): q *= hinv/(rconv*rconv*rconv); # density = mass/comoving length^3 + if((value=='StellarFormationTime')&(cosmological==False)): q*=hinv; # time has h^-1 in non-cosmological runs + if((value=='Masses')|('BH_Mass' in value)|(value=='CosmicRayEnergy')|(value=='PhotonEnergy')): q*=hinv; # mass x [no-h] units + + # return final value, if we have not already + particle_mask=numpy.array(particle_mask) + if(particle_mask.size > 0): q=q.take(particle_mask,axis=0) + return q + + + + + +def check_if_filename_exists(sdir,snum,snapshot_name='snapshot',snapdir_name='snapdir',extension='.hdf5',four_char=False): + ''' + This subroutine attempts to check if a snapshot or snapshot directory with + valid GIZMO outputs exists. It will check several common conventions for + file and directory names, and extensions. + + Input: + sdir: parent directory of the snapshot file or immediate snapshot sub-directory + if it is a multi-part file. string. + + snum: number (int) of the snapshot. e.g. snapshot_001.hdf5 is '1' + + Optional: + snapshot_name: default 'snapshot': the code will automatically try a number of + common snapshot and snapshot-directory prefixes. but it can't guess all of them, + especially if you use an unusual naming convention, e.g. naming your snapshots + 'xyzBearsBeetsBattleStarGalactica_001.hdf5'. In that case set this to the + snapshot name prefix (e.g. 'xyzBearsBeetsBattleStarGalactica') + + snapdir_name: default 'snapdir': like 'snapshot_name', set this if you use a + non-standard prefix for snapshot subdirectories (directories holding multi-part + snapshots pieces) + + extension: default 'hdf5': again like 'snapshot' set if you use a non-standard + extension (it checks multiply options like 'h5' and 'hdf5' and 'bin'). but + remember the file must actually be hdf5 format! + + four_char: default numbering is that snapshots with numbers below 1000 have + three-digit numbers. if they were numbered with four digits (e.g. snapshot_0001), + set this to 'True' (default False) + ''' + + # loop over possible extension names to try and check for valid files + for extension_touse in [extension,'.h5','.bin','']: + fname=sdir+'/'+snapshot_name+'_' + + # begin by identifying the snapshot extension with the file number + ext='00'+str(snum); + if (snum>=10): ext='0'+str(snum) + if (snum>=100): ext=str(snum) + if (four_char==True): ext='0'+ext + if (snum>=1000): ext=str(snum) + fname+=ext + fname_base=fname + + # isolate the specific path up to the snapshot name, because we will try to append several different choices below + s0=sdir.split("/"); snapdir_specific=s0[len(s0)-1]; + if(len(snapdir_specific)<=1): snapdir_specific=s0[len(s0)-2]; + + ## try several common notations for the directory/filename structure + fname=fname_base+extension_touse; + if not os.path.exists(fname): + ## is it a multi-part file? + fname=fname_base+'.0'+extension_touse; + if not os.path.exists(fname): + ## is the filename 'snap' instead of 'snapshot'? + fname_base=sdir+'/snap_'+ext; + fname=fname_base+extension_touse; + if not os.path.exists(fname): + ## is the filename 'snap' instead of 'snapshot', AND its a multi-part file? + fname=fname_base+'.0'+extension_touse; + if not os.path.exists(fname): + ## is the filename 'snap(snapdir)' instead of 'snapshot'? + fname_base=sdir+'/snap_'+snapdir_specific+'_'+ext; + fname=fname_base+extension_touse; + if not os.path.exists(fname): + ## is the filename 'snap' instead of 'snapshot', AND its a multi-part file? + fname=fname_base+'.0'+extension_touse; + if not os.path.exists(fname): + ## is it in a snapshot sub-directory? (we assume this means multi-part files) + fname_base=sdir+'/'+snapdir_name+'_'+ext+'/'+snapshot_name+'_'+ext; + fname=fname_base+'.0'+extension_touse; + if not os.path.exists(fname): + ## is it in a snapshot sub-directory AND named 'snap' instead of 'snapshot'? + fname_base=sdir+'/'+snapdir_name+'_'+ext+'/'+'snap_'+ext; + fname=fname_base+'.0'+extension_touse; + if not os.path.exists(fname): + ## wow, still couldn't find it... ok, i'm going to give up! + fname_found = 'NULL' + fname_base_found = 'NULL' + fname_ext = 'NULL' + continue; + if(os.stat(fname).st_size <= 0): + ## file exists but is null size, do not use + fname_found = 'NULL' + fname_base_found = 'NULL' + fname_ext = 'NULL' + continue; + fname_found = fname; + fname_base_found = fname_base; + fname_ext = extension_touse + break; # filename does exist! + return fname_found, fname_base_found, fname_ext; diff --git a/python_src/gizmo/make_IC.py b/python_src/gizmo/make_IC.py new file mode 100644 index 000000000..0d9f0a378 --- /dev/null +++ b/python_src/gizmo/make_IC.py @@ -0,0 +1,166 @@ +################################################################################ +###### This is an example script to generate HDF5-format ICs for GIZMO +###### The specific example below is obviously arbitrary, but could be generalized +###### to whatever IC you need. +################################################################################ +################################################################################ + +## load libraries we will use +import numpy as np +import h5py as h5py + +# the main routine. this specific example builds an N-dimensional box of gas plus +# a collisionless particle species, with a specified mass ratio. the initial +# gas particles are distributed in a uniform lattice; the initial collisionless +# particles laid down randomly according to a uniform probability distribution +# with a specified random velocity dispersion +# +def make_IC(): + ''' + This is an example subroutine provided to demonstrate how to make HDF5-format + ICs for GIZMO. The specific example here is arbitrary, but can be generalized + to whatever IC you need + ''' + + DIMS=2; # number of dimensions + N_1D=32; # 1D particle number (so total particle number is N_1D^DIMS) + fname='box_3d_r32.hdf5'; # output filename + + Lbox = 1.0 # box side length + rho_desired = 1.0 # box average initial gas density + P_desired = 1.0 # initial gas pressure + vgrainrms = 1.0 # rms velocity of collisionless particles + dust_to_gas_ratio = 0.01 # mass ratio of collisionless particles to gas + gamma_eos = 5./3. # polytropic index of ideal equation of state the run will assume + + # first we set up the gas properties (particle type 0) + + # make a regular 1D grid for particle locations (with N_1D elements and unit length) + x0=np.arange(-0.5,0.5,1./N_1D); x0+=0.5*(0.5-x0[-1]); + # now extend that to a full lattice in DIMS dimensions + if(DIMS==3): + xv_g, yv_g, zv_g = np.meshgrid(x0,x0,x0, sparse=False, indexing='xy') + if(DIMS==2): + xv_g, yv_g = np.meshgrid(x0,x0, sparse=False, indexing='xy'); zv_g = 0.0*xv_g + if(DIMS==1): + xv_g=x0; yv_g = 0.0*xv_g; zv_g = 0.0*xv_g; + # the gas particle number is the lattice size: this should be the gas particle number + Ngas = xv_g.size + # flatten the vectors (since our ICs should be in vector, not matrix format): just want a + # simple list of the x,y,z positions here. Here we multiply the desired box size in + xv_g=xv_g.flatten()*Lbox; yv_g=yv_g.flatten()*Lbox; zv_g=zv_g.flatten()*Lbox; + # set the initial velocity in x/y/z directions (here zero) + vx_g=0.*xv_g; vy_g=0.*xv_g; vz_g=0.*xv_g; + # set the initial magnetic field in x/y/z directions (here zero). + # these can be overridden (if constant field values are desired) by BiniX/Y/Z in the parameterfile + bx_g=0.*xv_g; by_g=0.*xv_g; bz_g=0.*xv_g; + # set the particle masses. Here we set it to be a list the same length, with all the same mass + # since their space-density is uniform this gives a uniform density, at the desired value + mv_g=rho_desired/((1.*Ngas)/(Lbox*Lbox*Lbox)) + 0.*xv_g + # set the initial internal energy per unit mass. recall gizmo uses this as the initial 'temperature' variable + # this can be overridden with the InitGasTemp variable (which takes an actual temperature) + uv_g=P_desired/((gamma_eos-1.)*rho_desired) + 0.*xv_g + # set the gas IDs: here a simple integer list + id_g=np.arange(1,Ngas+1) + + # now we set the properties of the collisionless particles: we will assign these to particle type '3', + # but (barring special compile-time flags being set) GIZMO will treat all collisionless particle types + # the same. so the setup would be identical for any of the particle types 1,2,3,4,5 + + # set the desired number of particles (here to about twice as many as the gas particles, because we feel like it) + Ngrains = int(np.round(2. * (1.*N_1D)**DIMS)) + # set the x/y/z positions: again a simple list for each: here to random numbers from a uniform distribution + xv_d = (np.random.rand(Ngrains)-0.5)*Lbox + yv_d = (np.random.rand(Ngrains)-0.5)*Lbox + zv_d = (np.random.rand(Ngrains)-0.5)*Lbox + # set the IDs: these must be unique, so we start from the maximum gas ID and go up + id_d = np.arange(Ngas+1,Ngrains+Ngas+1) + # set the velocities. again we will set to a random value, here a Gaussian-distributed one + vx_d = np.random.randn(Ngrains) * vgrainrms/np.sqrt(3.) + vy_d = np.random.randn(Ngrains) * vgrainrms/np.sqrt(3.) + vz_d = np.random.randn(Ngrains) * vgrainrms/np.sqrt(3.) + # set the masses, again a list with all the same mass + mv_d = dust_to_gas_ratio * (1.*Ngas)/(1.*Ngrains) * mv_g[0] + 0.*xv_d + # set the types for grains. GrainType = 1: Epstein/Stokes; 2: Charged Epstein/Stokes; 3: Cosmic Rays + type_d = (np.ones(Ngrains) * 3).astype("int") + + + + + # now we get ready to actually write this out + # first - open the hdf5 ics file, with the desired filename + file = h5py.File(fname,'w') + + # set particle number of each type into the 'npart' vector + # NOTE: this MUST MATCH the actual particle numbers assigned to each type, i.e. + # npart = np.array([number_of_PartType0_particles,number_of_PartType1_particles,number_of_PartType2_particles, + # number_of_PartType3_particles,number_of_PartType4_particles,number_of_PartType5_particles]) + # or else the code simply cannot read the IC file correctly! + # + npart = np.array([Ngas,0,0,Ngrains,0,0]) # we have gas and particles we will set for type 3 here, zero for all others + + # now we make the Header - the formatting here is peculiar, for historical (GADGET-compatibility) reasons + h = file.create_group("Header"); + # here we set all the basic numbers that go into the header + # (most of these will be written over anyways if it's an IC file; the only thing we actually *need* to be 'correct' is "npart") + h.attrs['NumPart_ThisFile'] = npart; # npart set as above - this in general should be the same as NumPart_Total, it only differs + # if we make a multi-part IC file. with this simple script, we aren't equipped to do that. + h.attrs['NumPart_Total'] = npart; # npart set as above + h.attrs['NumPart_Total_HighWord'] = 0*npart; # this will be set automatically in-code (for GIZMO, at least) + h.attrs['MassTable'] = np.zeros(6); # these can be set if all particles will have constant masses for the entire run. however since + # we set masses explicitly by-particle this should be zero. that is more flexible anyways, as it + # allows for physics which can change particle masses + h.attrs['Time'] = 0.0; # initial time + h.attrs['NumFilesPerSnapshot'] = 1; # number of files for multi-part snapshots + h.attrs['Flag_DoublePrecision'] = 0; # flag indicating whether ICs are in single/double precision + ## no other parameters will be read from the header if we are parsing an HDF5 file for reading in + + # Now, the actual data! + # These blocks should all be written in the order of their particle type (0,1,2,3,4,5) + # If there are no particles of a given type, nothing is needed (no block at all) + # PartType0 is 'special' as gas. All other PartTypes take the same, more limited set of information in their ICs + + # start with particle type zero. first (assuming we have any gas particles) create the group + p = file.create_group("PartType0") + # now combine the xyz positions into a matrix with the correct format + q=np.zeros((Ngas,3)); q[:,0]=xv_g; q[:,1]=yv_g; q[:,2]=zv_g; + # write it to the 'Coordinates' block + p.create_dataset("Coordinates",data=q) + # similarly, combine the xyz velocities into a matrix with the correct format + q=np.zeros((Ngas,3)); q[:,0]=vx_g; q[:,1]=vy_g; q[:,2]=vz_g; + # write it to the 'Velocities' block + p.create_dataset("Velocities",data=q) + # write particle ids to the ParticleIDs block + p.create_dataset("ParticleIDs",data=id_g) + # write particle masses to the Masses block + p.create_dataset("Masses",data=mv_g) + # write internal energies to the InternalEnergy block + p.create_dataset("InternalEnergy",data=uv_g) + # combine the xyz magnetic fields into a matrix with the correct format + q=np.zeros((Ngas,3)); q[:,0]=bx_g; q[:,1]=by_g; q[:,2]=bz_g; + # write magnetic fields to the MagneticField block. note that this is unnecessary if the code is compiled with + # MAGNETIC off. however, it is not a problem to have the field there, even if MAGNETIC is off, so you can + # always include it with some dummy values and then use the IC for either case + p.create_dataset("MagneticField",data=q) + + # no PartType1 for this IC + # no PartType2 for this IC + + # now assign the collisionless particles to PartType3. note that this block looks exactly like + # what we had above for the gas. EXCEPT there are no "InternalEnergy" or "MagneticField" fields (for + # obvious reasons). + p = file.create_group("PartType3") + q=np.zeros((Ngrains,3)); q[:,0]=xv_d; q[:,1]=yv_d; q[:,2]=zv_d; + p.create_dataset("Coordinates",data=q) + q=np.zeros((Ngrains,3)); q[:,0]=vx_d; q[:,1]=vy_d; q[:,2]=vz_d; + p.create_dataset("Velocities",data=q) + p.create_dataset("ParticleIDs",data=id_d) + p.create_dataset("Masses",data=mv_d) + p.create_dataset("PICParticleType",data=type_d) + + # no PartType4 for this IC + # no PartType5 for this IC + + # close the HDF5 file, which saves these outputs + file.close() + # all done! diff --git a/python_src/gizmo/readsnap.py b/python_src/gizmo/readsnap.py new file mode 100644 index 000000000..a8ef5a327 --- /dev/null +++ b/python_src/gizmo/readsnap.py @@ -0,0 +1,501 @@ +import numpy as np +import h5py as h5py +import os.path +## This file was written by Phil Hopkins (phopkins@caltech.edu) for GIZMO ## + + + +def readsnap(sdir,snum,ptype, + snapshot_name='snapshot', + extension='.hdf5', + h0=0,cosmological=0,skip_bh=0,four_char=0, + header_only=0,loud=0): + ''' + This is a sub-routine designed to copy a GIZMO snapshot portion - specifically + all the data corresponding to particles of a given type - into active memory in + a parent structure for use in python. The routine automatically handles multi-part + snapshot files for you (concatenating), and works with python2.x and python3.x, + and both GIZMO hdf5 and un-formatted binary outputs. + + Syntax: + P = readsnap(sdir,snum,ptype,....) + + Here "P" is a structure which contains the data. The snapshot file[s] are opened, + the data fully copied out, and the file closed. This attempts to copy + all the common data types, all together, into "P". Three things to note: + (1) the fields in P (visible by typing P.keys()) are not given the same names + as those in the raw snapshot, but 'shorthand' names, for convenience. you should + look at the keys and be sure you know which associate with which files. + (2) because of the full-copy approach into new-named fields, this will not + handle arbitrary new data types (it is impossible to handle these in full + generality with un-formatted binary, you need to code the file-order and byte + numbers for each new data structure). if you add new fields (with e.g. + additional physics modules) beyond what this code looks for, you need to + add code here, or use the more general 'load_from_snapshot.py' routine. + (3) also because of the full copy strategy, this routine is much more expensive + in time and memory compared to 'load_from_snapshot.py'. use that if you want + a light-weight, more flexible reading option, and have HDF5 outputs. + + For example, after calling, the 'Coordinates' field from the snapshot is + accessible from the new structure P by calling P['p']. 'Velocities' as P['v'], + 'Masses' as P['m']. Fields specific to gas include 'Density' as P['rho'], + 'InternalEnergy' as P['u'], and more. + + More details and examples are given in the GIZMO user guide. + + Arguments: + sdir: parent directory (string) of the snapshot file or immediate snapshot sub-directory + if it is a multi-part file. + + snum: number (int) of the snapshot. e.g. snapshot_001.hdf5 is '1' + Note for multi-part files, this is just the number of the 'set', i.e. + if you have snapshot_001.N.hdf5, set this to '1', not 'N' or '1.N' + + ptype: element type (int) = 0[gas],1,2,3,4,5[meaning depends on simulation, see + user guide for details]. if your chosen 'value' is in the file header, + this will be ignored + + Optional: + header_only: the structure "P" will return the file header, instead of the + particle data. you can see the data in the header then by simply typing + P.keys() -- this contains data like the time of the snapshot, as + P['Time']. With this specific routine the header information is only + saved if you choose this option. Default 0/False, turn on by setting to + 1 or True. + + cosmological: default 0/False: turn on (set to 1/True) to convert cosmological + co-moving units to physical units. will specifically convert Coordinates, + Masses, Velocities, Densities, Smoothing Lengths, and Times/Ages. If this + is on, you do not need to set 'h0' (this will force it to be set -also-), + but it does no harm to set it as well. + + h0: default 0/False: turn on (set to 1/True) for the code to use the value + of the hubble constant (h = H0/100 km/s/Mpc) saved in the snapshot to convert + from code units. Recall, units of time, length, and mass in the code are in + h^-1. So this on means your units are physical, with no "h" in them. + Will specifically convert Coordinates, Masses, Densities, Smoothing Lengths, + and Times/Ages. + + skip_bh: default 0/False: turn on (set to 1/True) to skip black hole-specific + fields for particles of type 5 (use if your snapshot contains elements of type 5, + but the black hole physics modules were not actually used; otherwise you will + get an error). + + four_char: default numbering is that snapshots with numbers below 1000 have + three-digit numbers. if they were numbered with four digits (e.g. snapshot_0001), + set this to 1 or True (default 0/False) + + snapshot_name: default 'snapshot': the code will automatically try a number of + common snapshot and snapshot-directory prefixes. but it can't guess all of them, + especially if you use an unusual naming convention, e.g. naming your snapshots + 'xyzBearsBeetsBattleStarGalactica_001.hdf5'. In that case set this to the + snapshot name prefix (e.g. 'xyzBearsBeetsBattleStarGalactica') + + extension: default 'hdf5': again like 'snapshot' set if you use a non-standard + extension (it checks multiply options like 'h5' and 'hdf5' and 'bin'). but + remember the file must actually be hdf5 format! + + loud: print additional checks as it reads, useful for debugging, + set to 1 or True if desired (default 0/False) + + + + ''' + + + if (ptype<0): return {'k':-1}; + if (ptype>5): return {'k':-1}; + + fname,fname_base,fname_ext = check_if_filename_exists(sdir,snum,\ + snapshot_name=snapshot_name,extension=extension,four_char=four_char) + if(fname=='NULL'): return {'k':-1} + if(loud==1): print('loading file : '+fname) + + ## open file and parse its header information + nL = 0 # initial particle point to start at + if(fname_ext=='.hdf5'): + file = h5py.File(fname,'r') # Open hdf5 snapshot file + header_topdict = file["Header"] # Load header dictionary (to parse below) + header_toparse = header_topdict.attrs + else: + file = open(fname) # Open binary snapshot file + header_toparse = load_gadget_format_binary_header(file) + + npart = header_toparse["NumPart_ThisFile"] + massarr = header_toparse["MassTable"] + time = header_toparse["Time"] + redshift = header_toparse["Redshift"] + flag_sfr = header_toparse["Flag_Sfr"] + flag_feedbacktp = header_toparse["Flag_Feedback"] + npartTotal = header_toparse["NumPart_Total"] + flag_cooling = header_toparse["Flag_Cooling"] + numfiles = header_toparse["NumFilesPerSnapshot"] + boxsize = header_toparse["BoxSize"] + hubble = header_toparse["HubbleParam"] + flag_stellarage = header_toparse["Flag_StellarAge"] + flag_metals = header_toparse["Flag_Metals"] + print("npart_file: ",npart) + print("npart_total:",npartTotal) + + hinv=1. + if (h0==1): + hinv=1./hubble + ascale=1. + if (cosmological==1): + ascale=time + hinv=1./hubble + if (cosmological==0): + time*=hinv + + boxsize*=hinv*ascale + if (npartTotal[ptype]<=0): file.close(); return {'k':-1}; + if (header_only==1): file.close(); return {'k':0,'time':time, + 'boxsize':boxsize,'hubble':hubble,'npart':npart,'npartTotal':npartTotal}; + + # initialize variables to be read + pos=np.zeros([npartTotal[ptype],3],dtype=np.float64) + vel=np.copy(pos) + ids=np.zeros([npartTotal[ptype]],dtype=long) + mass=np.zeros([npartTotal[ptype]],dtype=np.float64) + if (ptype==0): + ugas=np.copy(mass) + rho=np.copy(mass) + hsml=np.copy(mass) + #if (flag_cooling>0): + nume=np.copy(mass) + numh=np.copy(mass) + #if (flag_sfr>0): + sfr=np.copy(mass) + metal=np.copy(mass) + if (ptype == 0 or ptype == 4) and (flag_metals > 0): + metal=np.zeros([npartTotal[ptype],flag_metals],dtype=np.float64) + if (ptype == 4) and (flag_sfr > 0) and (flag_stellarage > 0): + stellage=np.copy(mass) + if (ptype == 5) and (skip_bh == 0): + bhmass=np.copy(mass) + bhmdot=np.copy(mass) + + # loop over the snapshot parts to get the different data pieces + for i_file in range(numfiles): + if (numfiles>1): + file.close() + fname = fname_base+'.'+str(i_file)+fname_ext + if(fname_ext=='.hdf5'): + file = h5py.File(fname,'r') # Open hdf5 snapshot file + else: + file = open(fname) # Open binary snapshot file + header_toparse = load_gadget_format_binary_header(file) + + if (fname_ext=='.hdf5'): + input_struct = file + npart = file["Header"].attrs["NumPart_ThisFile"] + bname = "PartType"+str(ptype)+"/" + else: + npart = header_toparse['NumPart_ThisFile'] + input_struct = load_gadget_format_binary_particledat(file, header_toparse, ptype, skip_bh=skip_bh) + bname = '' + + + # now do the actual reading + if(npart[ptype]>0): + nR=nL + npart[ptype] + pos[nL:nR,:]=input_struct[bname+"Coordinates"] + vel[nL:nR,:]=input_struct[bname+"Velocities"] + ids[nL:nR]=input_struct[bname+"ParticleIDs"] + mass[nL:nR]=massarr[ptype] + if (massarr[ptype] <= 0.): + mass[nL:nR]=input_struct[bname+"Masses"] + if (ptype==0): + ugas[nL:nR]=input_struct[bname+"InternalEnergy"] + rho[nL:nR]=input_struct[bname+"Density"] + hsml[nL:nR]=input_struct[bname+"SmoothingLength"] + if (flag_cooling > 0): + nume[nL:nR]=input_struct[bname+"ElectronAbundance"] + numh[nL:nR]=input_struct[bname+"NeutralHydrogenAbundance"] + if (flag_sfr > 0): + sfr[nL:nR]=input_struct[bname+"StarFormationRate"] + if (ptype == 0 or ptype == 4) and (flag_metals > 0): + metal_t=input_struct[bname+"Metallicity"] + if (flag_metals > 1): + if (metal_t.shape[0] != npart[ptype]): + metal_t=np.transpose(metal_t) + else: + metal_t=np.reshape(np.array(metal_t),(np.array(metal_t).size,1)) + metal[nL:nR,:]=metal_t + if (ptype == 4) and (flag_sfr > 0) and (flag_stellarage > 0): + stellage[nL:nR]=input_struct[bname+"StellarFormationTime"] + if (ptype == 5) and (skip_bh == 0): + bhmass[nL:nR]=input_struct[bname+"BH_Mass"] + bhmdot[nL:nR]=input_struct[bname+"BH_Mdot"] + nL = nR # sets it for the next iteration + + ## correct to same ID as original gas particle for new stars, if bit-flip applied + if ((np.min(ids)<0) | (np.max(ids)>1.e9)): + bad = (ids < 0) | (ids > 1.e9) + ids[bad] += (long(1) << 31) + + # do the cosmological conversions on final vectors as needed + pos *= hinv*ascale # snapshot units are comoving + mass *= hinv + vel *= np.sqrt(ascale) # remember gizmo's (and gadget's) weird velocity units! + if (ptype == 0): + rho *= (hinv/((ascale*hinv)**3)) + hsml *= hinv*ascale + if (ptype == 4) and (flag_sfr > 0) and (flag_stellarage > 0) and (cosmological == 0): + stellage *= hinv + if (ptype == 5) and (skip_bh == 0): + bhmass *= hinv + + file.close(); + if (ptype == 0): + return {'k':1,'p':pos,'v':vel,'m':mass,'id':ids,'u':ugas,'rho':rho,'h':hsml,'ne':nume,'nh':numh,'sfr':sfr,'z':metal}; + if (ptype == 4): + return {'k':1,'p':pos,'v':vel,'m':mass,'id':ids,'z':metal,'age':stellage} + if (ptype == 5) and (skip_bh == 0): + return {'k':1,'p':pos,'v':vel,'m':mass,'id':ids,'mbh':bhmass,'mdot':bhmdot} + return {'k':1,'p':pos,'v':vel,'m':mass,'id':ids} + + + +def check_if_filename_exists(sdir,snum,snapshot_name='snapshot',extension='.hdf5',four_char=0): + for extension_touse in [extension,'.bin','']: + fname=sdir+'/'+snapshot_name+'_' + ext='00'+str(snum); + if (snum>=10): ext='0'+str(snum) + if (snum>=100): ext=str(snum) + if (four_char==1): ext='0'+ext + if (snum>=1000): ext=str(snum) + fname+=ext + fname_base=fname + + s0=sdir.split("/"); snapdir_specific=s0[len(s0)-1]; + if(len(snapdir_specific)<=1): snapdir_specific=s0[len(s0)-2]; + + ## try several common notations for the directory/filename structure + fname=fname_base+extension_touse; + if not os.path.exists(fname): + ## is it a multi-part file? + fname=fname_base+'.0'+extension_touse; + if not os.path.exists(fname): + ## is the filename 'snap' instead of 'snapshot'? + fname_base=sdir+'/snap_'+ext; + fname=fname_base+extension_touse; + if not os.path.exists(fname): + ## is the filename 'snap' instead of 'snapshot', AND its a multi-part file? + fname=fname_base+'.0'+extension_touse; + if not os.path.exists(fname): + ## is the filename 'snap(snapdir)' instead of 'snapshot'? + fname_base=sdir+'/snap_'+snapdir_specific+'_'+ext; + fname=fname_base+extension_touse; + if not os.path.exists(fname): + ## is the filename 'snap' instead of 'snapshot', AND its a multi-part file? + fname=fname_base+'.0'+extension_touse; + if not os.path.exists(fname): + ## is it in a snapshot sub-directory? (we assume this means multi-part files) + fname_base=sdir+'/snapdir_'+ext+'/'+snapshot_name+'_'+ext; + fname=fname_base+'.0'+extension_touse; + if not os.path.exists(fname): + ## is it in a snapshot sub-directory AND named 'snap' instead of 'snapshot'? + fname_base=sdir+'/snapdir_'+ext+'/'+'snap_'+ext; + fname=fname_base+'.0'+extension_touse; + if not os.path.exists(fname): + ## wow, still couldn't find it... ok, i'm going to give up! + fname_found = 'NULL' + fname_base_found = 'NULL' + fname_ext = 'NULL' + continue; + fname_found = fname; + fname_base_found = fname_base; + fname_ext = extension_touse + break; # filename does exist! + return fname_found, fname_base_found, fname_ext; + + + +def load_gadget_format_binary_header(f): + ### Read header. + import array + # Skip 4-byte integer at beginning of header block. + f.read(4) + # Number of particles of each type. 6*unsigned integer. + Npart = array.array('I') + Npart.fromfile(f, 6) + # Mass of each particle type. If set to 0 for a type which is present, + # individual particle masses from the 'mass' block are used instead. + # 6*double. + Massarr = array.array('d') + Massarr.fromfile(f, 6) + # Expansion factor (or time, if non-cosmological sims) of output. 1*double. + a = array.array('d') + a.fromfile(f, 1) + a = a[0] + # Redshift of output. Should satisfy z=1/a-1. 1*double. + z = array.array('d') + z.fromfile(f, 1) + z = float(z[0]) + # Flag for star formation. 1*int. + FlagSfr = array.array('i') + FlagSfr.fromfile(f, 1) + # Flag for feedback. 1*int. + FlagFeedback = array.array('i') + FlagFeedback.fromfile(f, 1) + # Total number of particles of each type in the simulation. 6*int. + Nall = array.array('i') + Nall.fromfile(f, 6) + # Flag for cooling. 1*int. + FlagCooling = array.array('i') + FlagCooling.fromfile(f, 1) + # Number of files in each snapshot. 1*int. + NumFiles = array.array('i') + NumFiles.fromfile(f, 1) + # Box size (comoving kpc/h). 1*double. + BoxSize = array.array('d') + BoxSize.fromfile(f, 1) + # Matter density at z=0 in units of the critical density. 1*double. + Omega_Matter = array.array('d') + Omega_Matter.fromfile(f, 1) + # Vacuum energy density at z=0 in units of the critical density. 1*double. + Omega_Lambda = array.array('d') + Omega_Lambda.fromfile(f, 1) + # Hubble parameter h in units of 100 km s^-1 Mpc^-1. 1*double. + h = array.array('d') + h.fromfile(f, 1) + h = float(h[0]) + # Creation times of stars. 1*int. + FlagAge = array.array('i') + FlagAge.fromfile(f, 1) + # Flag for metallicity values. 1*int. + FlagMetals = array.array('i') + FlagMetals.fromfile(f, 1) + + # For simulations that use more than 2^32 particles, most significant word + # of 64-bit total particle numbers. Otherwise 0. 6*int. + NallHW = array.array('i') + NallHW.fromfile(f, 6) + + # Flag that initial conditions contain entropy instead of thermal energy + # in the u block. 1*int. + flag_entr_ics = array.array('i') + flag_entr_ics.fromfile(f, 1) + + # Unused header space. Skip to particle positions. + f.seek(4+256+4+4) + + return {'NumPart_ThisFile':Npart, 'MassTable':Massarr, 'Time':a, 'Redshift':z, \ + 'Flag_Sfr':FlagSfr[0], 'Flag_Feedback':FlagFeedback[0], 'NumPart_Total':Nall, \ + 'Flag_Cooling':FlagCooling[0], 'NumFilesPerSnapshot':NumFiles[0], 'BoxSize':BoxSize[0], \ + 'Omega_Matter':OmegaMatter[0], 'Omega_Lambda':OmegaLambda[0], 'HubbleParam':h, \ + 'Flag_StellarAge':FlagAge[0], 'Flag_Metals':FlagMetals[0], 'Nall_HW':NallHW, \ + 'Flag_EntrICs':flag_entr_ics[0]} + + +def load_gadget_format_binary_particledat(f, header, ptype, skip_bh=0): + ## load old format=1 style gadget-format binary snapshot files (unformatted fortran binary) + import array + gas_u=0.; gas_rho=0.; gas_ne=0.; gas_nhi=0.; gas_hsml=0.; gas_SFR=0.; star_age=0.; + zmet=0.; bh_mass=0.; bh_mdot=0.; mm=0.; + Npart = header['NumPart_ThisFile'] + Massarr = header['MassTable'] + NpartTot = np.sum(Npart) + NpartCum = np.cumsum(Npart) + n0 = NpartCum[ptype] - Npart[ptype] + n1 = NpartCum[ptype] + + ### particles positions. 3*Npart*float. + pos = array.array('f') + pos.fromfile(f, 3*NpartTot) + pos = np.reshape(pos, (NpartTot,3)) + f.read(4+4) # Read block size fields. + + ### particles velocities. 3*Npart*float. + vel = array.array('f') + vel.fromfile(f, 3*NpartTot) + vel = np.reshape(vel, (NpartTot,3)) + f.read(4+4) # Read block size fields. + + ### Particle IDs. # (Npart[0]+...+Npart[5])*int + id = array.array('i') + id.fromfile(f, NpartTot) + id = np.array(id) + f.read(4+4) # Read block size fields. + + ### Variable particle masses. + Npart_MassCode = np.copy(np.array(Npart)) + Npart=np.array(Npart) + Npart_MassCode[(Npart <= 0) | (np.array(Massarr,dtype='d') > 0.0)] = long(0) + NwithMass = np.sum(Npart_MassCode) + mass = array.array('f') + mass.fromfile(f, NwithMass) + f.read(4+4) # Read block size fields. + if (Massarr[ptype]==0.0): + Npart_MassCode_Tot = np.cumsum(Npart_MassCode) + mm = mass[Npart_MassCode_Tot[ptype]-Npart_MassCode[ptype]:Npart_MassCode_Tot[ptype]] + + if ((ptype == 0) | (ptype == 4) | (ptype == 5)): + if (Npart[0]>0): + ### Internal energy of gas particles ((km/s)^2). + gas_u = array.array('f') + gas_u.fromfile(f, Npart[0]) + f.read(4+4) # Read block size fields. + ### Density for the gas paraticles (units?). + gas_rho = array.array('f') + gas_rho.fromfile(f, Npart[0]) + f.read(4+4) # Read block size fields. + + if (header['Flag_Cooling'] > 0): + ### Electron number density for gas particles (fraction of n_H; can be >1). + gas_ne = array.array('f') + gas_ne.fromfile(f, Npart[0]) + f.read(4+4) # Read block size fields. + ### Neutral hydrogen number density for gas particles (fraction of n_H). + gas_nhi = array.array('f') + gas_nhi.fromfile(f, Npart[0]) + f.read(4+4) # Read block size fields. + + ### Smoothing length (kpc/h). ### + gas_hsml = array.array('f') + gas_hsml.fromfile(f, Npart[0]) + f.read(4+4) # Read block size fields. + + if (header['Flag_Sfr'] > 0): + ### Star formation rate (Msun/yr). ### + gas_SFR = array.array('f') + gas_SFR.fromfile(f, Npart[0]) + f.read(4+4) # Read block size fields. + + if (Npart[4]>0): + if (header['Flag_Sfr'] > 0): + if (header['Flag_StellarAge'] > 0): + ### Star formation time (in code units) or scale factor ### + star_age = array.array('f') + star_age.fromfile(f, Npart[4]) + f.read(4+4) # Read block size fields. + + if (Npart[0]+Npart[4]>0): + if (header['Flag_Metals'] > 0): + ## Metallicity block (species tracked = Flag_Metals) + if (Npart[0]>0): + gas_z = array.array('f') + gas_z.fromfile(f, header['Flag_Metals']*Npart[0]) + if (Npart[4]>0): + star_z = array.array('f') + star_z.fromfile(f, header['Flag_Metals']*Npart[4]) + f.read(4+4) # Read block size fields. + if (ptype==0): zmet=np.reshape(gas_z,(-1,header['Flag_Metals'])) + if (ptype==4): zmet=np.reshape(star_z,(-1,header['Flag_Metals'])) + + if (Npart[5]>0): + if (skip_bh > 0): + ## BH mass (same as code units, but this is the separately-tracked BH mass from particle mass) + bh_mass = array.array('f') + bh_mass.fromfile(f, Npart[5]) + f.read(4+4) # Read block size fields. + ## BH accretion rate in snapshot + bh_mdot = array.array('f') + bh_mdot.fromfile(f, Npart[5]) + f.read(4+4) # Read block size fields. + + return {'Coordinates':pos[n0:n1,:], 'Velocities':vel[n0:n1,:], 'ParticleIDs':id[n0:n1], \ + 'Masses':mm, 'Metallicity':zmet, 'StellarFormationTime':star_age, 'BH_Mass':bh_mass, \ + 'BH_Mdot':bh_mdot, 'InternalEnergy':gas_u, 'Density':gas_rho, 'SmoothingLength':gas_hsml, \ + 'ElectronAbundance':gas_ne, 'NeutralHydrogenAbundance':gas_nhi, 'StarFormationRate':gas_SFR} diff --git a/python_src/gizmo/test.py b/python_src/gizmo/test.py index 88c7ac6bc..a78f187da 100644 --- a/python_src/gizmo/test.py +++ b/python_src/gizmo/test.py @@ -22,8 +22,9 @@ def download_test_files(test_name: str): paramsfile = f"{test_name}.params" icfile = f"{test_name}_ics.hdf5" exactfile = f"{test_name}_exact.txt" # exact solution (might not exist!) + exactfile2 = f"{test_name}_exact.hdf5" # exact solution (might not exist!) - for f in paramsfile, icfile, exactfile: + for f in paramsfile, icfile, exactfile, exactfile2: try: urlretrieve(website_path + f, f) except HTTPError as err: diff --git a/test/gmc_cooling/test_gmc_cooling.py b/test/gmc_cooling/test_gmc_cooling.py index a547ab529..b9bbb0042 100644 --- a/test/gmc_cooling/test_gmc_cooling.py +++ b/test/gmc_cooling/test_gmc_cooling.py @@ -1,7 +1,40 @@ """GMC cooling and chemistry test""" from gizmo.test import build_and_run_test, get_cooling_tables -from os import system, path +from os import path +from matplotlib import pyplot as plt +import h5py +from astropy import units as u, constants as c +from scipy.stats import binned_statistic +import numpy as np + + +def compute_test_statistic(f, save_reference_solution=False, plot=False): + """Returns the test statistic to be compared with the reference solution. Optionally, saves the input snapshot data as the reference solution.""" + with h5py.File(f, "r") as F: + Z = F["PartType0/Metallicity"][:] + XH = 1 - F["PartType0/Metallicity"][:, 0] - F["PartType0/Metallicity"][:, 1] + rho_to_nH = XH * (u.Msun / u.pc**3).to(c.m_p / u.cm**3) + rho = F["PartType0/Density"][:] + nH = F["PartType0/Density"][:] * rho_to_nH + T = F["PartType0/Temperature"][:] + + if save_reference_solution: + with h5py.File("gmc_cooling_exact.hdf5", "w") as F: + F.create_dataset("PartType0/Metallicity", data=Z) + F.create_dataset("PartType0/Density", data=rho) + F.create_dataset("PartType0/Temperature", data=T) + + if plot: + plt.loglog(nH, T, ".", markersize=1, color="black", label="Test") + plt.loglog(nH, T, ".", markersize=1, color="red", label="Benchmark") + plt.xlabel(r"$n_{\rm H}\,\rm\left(\rm cm^{-3}\right)$") + plt.ylabel(r"$T (\rm K)$") + plt.legend(loc=3) + plt.savefig("test/gmc_cooling/nH_vs_T.png", bbox_inches="tight") + + nH_bins = np.logspace(1, 3, 10) + return binned_statistic(nH, T, "median", nH_bins)[0] def test_gmc_cooling(): @@ -10,4 +43,7 @@ def test_gmc_cooling(): build_and_run_test(test_name) if not path.isfile("output/snapshot_010.hdf5"): assert False - assert True + + test_stats = compute_test_statistic("output/snapshot_010.hdf5", plot=True) + benchmark_stats = compute_test_statistic("gmc_cooling_exact.hdf5") + assert np.all(np.isclose(test_stats, benchmark_stats, rtol=0.1)) From 42f11d05fe412680fa0886be84853863089e7560 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Tue, 10 Mar 2026 17:19:17 -0400 Subject: [PATCH 33/90] test plot for gmc_cooling --- test/gmc_cooling/test_gmc_cooling.py | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/test/gmc_cooling/test_gmc_cooling.py b/test/gmc_cooling/test_gmc_cooling.py index b9bbb0042..40e52dea1 100644 --- a/test/gmc_cooling/test_gmc_cooling.py +++ b/test/gmc_cooling/test_gmc_cooling.py @@ -27,6 +27,9 @@ def compute_test_statistic(f, save_reference_solution=False, plot=False): if plot: plt.loglog(nH, T, ".", markersize=1, color="black", label="Test") + with h5py.File("gmc_cooling_exact.hdf5", "r") as F: + nH = F["PartType0/Density"][:] * rho_to_nH + T = F["PartType0/Temperature"][:] plt.loglog(nH, T, ".", markersize=1, color="red", label="Benchmark") plt.xlabel(r"$n_{\rm H}\,\rm\left(\rm cm^{-3}\right)$") plt.ylabel(r"$T (\rm K)$") @@ -42,7 +45,7 @@ def test_gmc_cooling(): get_cooling_tables() build_and_run_test(test_name) if not path.isfile("output/snapshot_010.hdf5"): - assert False + raise (RuntimeError("GIZMO did not run successfully.")) test_stats = compute_test_statistic("output/snapshot_010.hdf5", plot=True) benchmark_stats = compute_test_statistic("gmc_cooling_exact.hdf5") From f5af9294a307c535df343155517e3822a3e5f305 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Tue, 10 Mar 2026 18:14:25 -0400 Subject: [PATCH 34/90] rt cooling test --- test/gmc_cooling/test_gmc_cooling.py | 7 ++- test/gmc_cooling_rt/Config.sh | 10 ++++ test/gmc_cooling_rt/Config.sh~ | 9 +++ test/gmc_cooling_rt/README.md | 17 ++++++ test/gmc_cooling_rt/README.md~ | 15 +++++ ...t_gmc_cooling.cpython-311-pytest-9.0.2.pyc | Bin 0 -> 6053 bytes .../test_gmc_cooling.cpython-311.pyc | Bin 0 -> 4270 bytes ...mc_cooling_rt.cpython-311-pytest-9.0.2.pyc | Bin 0 -> 6127 bytes .../test_gmc_cooling_rt.cpython-311.pyc | Bin 0 -> 4344 bytes test/gmc_cooling_rt/nH_vs_T.png | Bin 0 -> 58256 bytes test/gmc_cooling_rt/test_gmc_cooling_rt.py | 53 ++++++++++++++++++ 11 files changed, 108 insertions(+), 3 deletions(-) create mode 100644 test/gmc_cooling_rt/Config.sh create mode 100644 test/gmc_cooling_rt/Config.sh~ create mode 100644 test/gmc_cooling_rt/README.md create mode 100644 test/gmc_cooling_rt/README.md~ create mode 100644 test/gmc_cooling_rt/__pycache__/test_gmc_cooling.cpython-311-pytest-9.0.2.pyc create mode 100644 test/gmc_cooling_rt/__pycache__/test_gmc_cooling.cpython-311.pyc create mode 100644 test/gmc_cooling_rt/__pycache__/test_gmc_cooling_rt.cpython-311-pytest-9.0.2.pyc create mode 100644 test/gmc_cooling_rt/__pycache__/test_gmc_cooling_rt.cpython-311.pyc create mode 100644 test/gmc_cooling_rt/nH_vs_T.png create mode 100644 test/gmc_cooling_rt/test_gmc_cooling_rt.py diff --git a/test/gmc_cooling/test_gmc_cooling.py b/test/gmc_cooling/test_gmc_cooling.py index 40e52dea1..769129e49 100644 --- a/test/gmc_cooling/test_gmc_cooling.py +++ b/test/gmc_cooling/test_gmc_cooling.py @@ -28,13 +28,14 @@ def compute_test_statistic(f, save_reference_solution=False, plot=False): if plot: plt.loglog(nH, T, ".", markersize=1, color="black", label="Test") with h5py.File("gmc_cooling_exact.hdf5", "r") as F: - nH = F["PartType0/Density"][:] * rho_to_nH - T = F["PartType0/Temperature"][:] - plt.loglog(nH, T, ".", markersize=1, color="red", label="Benchmark") + nH_ref = F["PartType0/Density"][:] * rho_to_nH + T_ref = F["PartType0/Temperature"][:] + plt.loglog(nH_ref, T_ref, ".", markersize=1, color="red", label="Benchmark") plt.xlabel(r"$n_{\rm H}\,\rm\left(\rm cm^{-3}\right)$") plt.ylabel(r"$T (\rm K)$") plt.legend(loc=3) plt.savefig("test/gmc_cooling/nH_vs_T.png", bbox_inches="tight") + plt.close() nH_bins = np.logspace(1, 3, 10) return binned_statistic(nH, T, "median", nH_bins)[0] diff --git a/test/gmc_cooling_rt/Config.sh b/test/gmc_cooling_rt/Config.sh new file mode 100644 index 000000000..3043f2628 --- /dev/null +++ b/test/gmc_cooling_rt/Config.sh @@ -0,0 +1,10 @@ +SINGLE_STAR_STARFORGE_DEFAULTS +MAGNETIC +COOLING +SINGLE_STAR_FB_RAD +RT_SPEEDOFLIGHT_REDUCTION=3e-5 +METALS +COOL_METAL_LINES_BY_SPECIES +BOX_PERIODIC +GRAVITY_NOT_PERIODIC +ADAPTIVE_TREEFORCE_UPDATE=0.0625 diff --git a/test/gmc_cooling_rt/Config.sh~ b/test/gmc_cooling_rt/Config.sh~ new file mode 100644 index 000000000..2b90ba480 --- /dev/null +++ b/test/gmc_cooling_rt/Config.sh~ @@ -0,0 +1,9 @@ +SINGLE_STAR_STARFORGE_DEFAULTS +MAGNETIC +COOLING +SINGLE_STAR_FB_RAD +METALS +COOL_METAL_LINES_BY_SPECIES +BOX_PERIODIC +GRAVITY_NOT_PERIODIC +ADAPTIVE_TREEFORCE_UPDATE=0.0625 diff --git a/test/gmc_cooling_rt/README.md b/test/gmc_cooling_rt/README.md new file mode 100644 index 000000000..c5107d18b --- /dev/null +++ b/test/gmc_cooling_rt/README.md @@ -0,0 +1,17 @@ +# GMC cooling test + +This test initializes a $$2\times10^4 M_\odot$$ giant molecular cloud at $1M_\odot$ resolution, runs it for about a crossing time, and verifies that the temperature-density statistics are in agreement with a pre-run setup, within a reasonable tolerance. This is the version that runs with on-the-fly radiation transfer. + +This is a benchmark test. Failing this test does not necessarily imply that there is a problem, but rather indicates that something has changed that should be noted. + +Compile-time flags used for this setup: +``` + SINGLE_STAR_STARFORGE_DEFAULTS + SINGLE_STAR_FB_RAD + COOLING + MAGNETIC + BOX_PERIODIC + GRAVITY_NOT_PERIODIC + ADAPTIVE_TREEFORCE_UPDATE=0.0625 + RT_SPEEDOFLIGHT_REDUCTION=3e-5 +``` diff --git a/test/gmc_cooling_rt/README.md~ b/test/gmc_cooling_rt/README.md~ new file mode 100644 index 000000000..e6481c29b --- /dev/null +++ b/test/gmc_cooling_rt/README.md~ @@ -0,0 +1,15 @@ +# GMC cooling test + +This test initializes a $$2\times10^4 M_\odot$$ giant molecular cloud at $1M_\odot$ resolution, runs it for about a crossing time, and verifies that the temperature-density statistics are in agreement with a pre-run setup, within a reasonable tolerance. + +This is a benchmark test. Failing this test does not necessarily imply that there is a problem, but rather indicates that something has changed that should be noted. + +Compile-time flags used for this setup: +``` + SINGLE_STAR_STARFORGE_DEFAULTS + COOLING + MAGNETIC + BOX_PERIODIC + GRAVITY_NOT_PERIODIC + ADAPTIVE_TREEFORCE_UPDATE=0.0625 +``` diff --git a/test/gmc_cooling_rt/__pycache__/test_gmc_cooling.cpython-311-pytest-9.0.2.pyc b/test/gmc_cooling_rt/__pycache__/test_gmc_cooling.cpython-311-pytest-9.0.2.pyc new file mode 100644 index 0000000000000000000000000000000000000000..4747bc43cf7acfff9c81cee94e2650d5103744e8 GIT binary patch literal 6053 zcmdT|U2NOd6(%K0qC`oyY{#+Ow2>1xwcJ#;oY+a5+O8AFb+*P?S_4~ztOQNcwi5ox zB-O;Kgc(IQcvuD)!@7A}3wXemxrhg3zy@S*0g85gq&f~YE?{85(1$z>aFGru^0ad) zi4q+pT`}xo{5ib$-0z-y&bfc*@^_I)h=A*#KfIlNk0ywJ;7slER1^1q0EwRy0+AsE zQt(J*#$$iIGR1pHLiT0+Brfqv0h!LwaxfFL^OO{lnG9p6eNtGCWTJN3Bei5&0PmMt z(4FcB-MbrzPyq(bQI)OMK?Ibz^K-_tfGhl3k(CA%kopax9TAL0p}4ofB!Cpon?@i 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@@ +"""GMC cooling and chemistry test""" + +from gizmo.test import build_and_run_test, get_cooling_tables +from os import path +from matplotlib import pyplot as plt +import h5py +from astropy import units as u, constants as c +from scipy.stats import binned_statistic +import numpy as np + + +def compute_test_statistic(f, save_reference_solution=False, plot=False): + """Returns the test statistic to be compared with the reference solution. Optionally, saves the input snapshot data as the reference solution.""" + with h5py.File(f, "r") as F: + Z = F["PartType0/Metallicity"][:] + XH = 1 - F["PartType0/Metallicity"][:, 0] - F["PartType0/Metallicity"][:, 1] + rho_to_nH = XH * (u.Msun / u.pc**3).to(c.m_p / u.cm**3) + rho = F["PartType0/Density"][:] + nH = F["PartType0/Density"][:] * rho_to_nH + T = F["PartType0/Temperature"][:] + + if save_reference_solution: + with h5py.File("gmc_cooling_rt_exact.hdf5", "w") as F: + F.create_dataset("PartType0/Metallicity", data=Z) + F.create_dataset("PartType0/Density", data=rho) + F.create_dataset("PartType0/Temperature", data=T) + + if plot: + plt.loglog(nH, T, ".", markersize=1, color="black", label="Test") + with h5py.File("gmc_cooling_rt_exact.hdf5", "r") as F: + nH_ref = F["PartType0/Density"][:] * rho_to_nH + T_ref = F["PartType0/Temperature"][:] + plt.loglog(nH_ref, T_ref, ".", markersize=1, color="red", label="Benchmark") + plt.xlabel(r"$n_{\rm H}\,\rm\left(\rm cm^{-3}\right)$") + plt.ylabel(r"$T (\rm K)$") + plt.legend(loc=3) + plt.savefig("test/gmc_cooling_rt/nH_vs_T.png", bbox_inches="tight") + plt.close() + + nH_bins = np.logspace(1, 3, 10) + return binned_statistic(nH, T, "median", nH_bins)[0] + + +def test_gmc_cooling_rt(): + test_name = "gmc_cooling_rt" + get_cooling_tables() + build_and_run_test(test_name) + if not path.isfile("output/snapshot_010.hdf5"): + raise (RuntimeError("GIZMO did not run successfully.")) + + test_stats = compute_test_statistic("output/snapshot_010.hdf5", plot=True) + benchmark_stats = compute_test_statistic("gmc_cooling_rt_exact.hdf5") + assert np.all(np.isclose(test_stats, benchmark_stats, rtol=0.01)) From 09ab0ac469ac97b189b7454b331006289d14cfde Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Tue, 10 Mar 2026 19:10:58 -0400 Subject: [PATCH 35/90] logic in test file downloader --- python_src/gizmo/test.py | 2 +- test/gmc_cooling_rt/nH_vs_T.png | Bin 58256 -> 81970 bytes 2 files changed, 1 insertion(+), 1 deletion(-) diff --git a/python_src/gizmo/test.py b/python_src/gizmo/test.py index a78f187da..236c7a50f 100644 --- a/python_src/gizmo/test.py +++ b/python_src/gizmo/test.py @@ -33,7 +33,7 @@ def download_test_files(test_name: str): except HTTPError as err: print(f"Could not find {f} at {website_path} or {website_path2}") - if not (path.isfile(icfile) and path.isfile(icfile)): + if not (path.isfile(icfile) and path.isfile(paramsfile)): raise (FileNotFoundError(f"Could not find ICs and params for test {test_name}")) diff --git a/test/gmc_cooling_rt/nH_vs_T.png b/test/gmc_cooling_rt/nH_vs_T.png index 361924363b6d3574e184c8645136d06193f8482e..13d67d07c6f5f8be314153fb01d02f9cac8428df 100644 GIT binary patch literal 81970 zcmc$`XH=72)CCx-(v@BWR1gG_-n*cvNbkK!@4Z6+6;Kfn5fJGjz4sET2$33T3B3vd z0-=T;m?ymReKS91&97N&exOK6?sMBcuqmeObP;lC|**scAmH}DKfv$d?I6&ro38=92#MzlV;>NR?HBF?&;75TJO~d2dinH;USP%+Has-x zIBe%i;gF1p|1NcIm(xp9QIa~ojT|o*$!%(#A2vKMg;+AsKi#4J^sVm3rUBUxvg57Q z3r_tv+__K2k}?O^TptvtW{OQ!rK@-+i*gpqbbX*1Ku9= 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zf61>;9=ML0Tu96GEbTw#!7Df?Bg82*zq2{9A}<`T0dV^Za2Z}90R-pae?AZy4#=)T7OHLqu6vV(1s0Xc$q!AOoO1S^qAdMRqnMq4tr2)I>=wZD z%}3MvIEt&av`s6W)Cljy(ra=m_&C?uFKC4%KvNJ!E5wqwJccANq|_h{IAhN*e+Ie6JnIkYa;ZB417cBuO$bLqQT$BVB%JEgWYA@~^s>v#i_KL1-E zM|D|aLYvH?Q}@zC*%PG{4_&N3jt~UFX)Bx>INsEATgMnnNq9sJM%9?q7i)2%GsS(< z<98F)dLZfXw7j0VfNzoV--J2Sw;JT-X6yV8Sl=r>8t1H&C z-g2%UNnk6}5?~Ra6c{)m-DJfJ6=HkkCcDtp3?B}N%-yqKQ;@ z9oXhlA|PU*&2360Vu;xnJ?bPJ6q~rexs$DAC+VNSfeGzUb(ldABFLcmZuq!0Eo}*M z<1F0i#@#~P3k2)EIU2HRC~NbXh#doL%;7>>?5_#Ew{c8!hyMy%vMB8bD9?Q2XzJ-W z9pT=1Ry+<@&hQeZ86IInLkXM}IoFneg)ry?9z#ig$-uw>*k51_TFC81H=1E&QwX&^ z(dhfstVqneJ%}bG6}O__cmxr)YHDT{FL)`V^V5>BF;qd`D2qdhc%kUxC-qxH@v7)GY7s$$qPkp0cvt4bB_A#c(;E|+U&p|Lls6~y$= z&fhoFEe|4^em(#i#oWfmeFp>ADD!56py9Lej>Z*jw=aN%wNHDSMwo$2H|kjwrnL0! z>Lf3A{!<@4SP_|UHzGZuZCXbsJ Date: Tue, 10 Mar 2026 19:54:28 -0400 Subject: [PATCH 37/90] new runtime parameter InitRadiationTemp to supplant pegging initial radiation temp to the gas temp --- test/gmc_cooling_rt/test_gmc_cooling_rt.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/test/gmc_cooling_rt/test_gmc_cooling_rt.py b/test/gmc_cooling_rt/test_gmc_cooling_rt.py index 5fbcc7b1e..91dc8ae05 100644 --- a/test/gmc_cooling_rt/test_gmc_cooling_rt.py +++ b/test/gmc_cooling_rt/test_gmc_cooling_rt.py @@ -50,4 +50,4 @@ def test_gmc_cooling_rt(): test_stats = compute_test_statistic("test/gmc_cooling_rt/output/snapshot_010.hdf5", plot=True) benchmark_stats = compute_test_statistic("gmc_cooling_rt_exact.hdf5") - assert np.all(np.isclose(test_stats, benchmark_stats, rtol=0.01)) + assert np.all(np.isclose(test_stats, benchmark_stats, rtol=0.1)) From b80b327082135be1e12106b01df4b5b41233e4a9 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Wed, 11 Mar 2026 10:40:43 -0400 Subject: [PATCH 38/90] move params files to test subdirectories --- python_src/gizmo/test.py | 7 +- test/gmc_cooling/gmc_cooling.params | 249 ++++++++++++++++++++++ test/gmc_cooling_rt/Config.sh | 1 - test/gmc_cooling_rt/gmc_cooling_rt.params | 249 ++++++++++++++++++++++ test/gmc_cooling_rt/nH_vs_T.png | Bin 79865 -> 60147 bytes 5 files changed, 501 insertions(+), 5 deletions(-) create mode 100644 test/gmc_cooling/gmc_cooling.params create mode 100644 test/gmc_cooling_rt/gmc_cooling_rt.params diff --git a/python_src/gizmo/test.py b/python_src/gizmo/test.py index 236c7a50f..4ffb27335 100644 --- a/python_src/gizmo/test.py +++ b/python_src/gizmo/test.py @@ -19,12 +19,11 @@ def download_test_files(test_name: str): website_path2 = f"https://users.flatironinstitute.org/~mgrudic/gizmo_tests/{test_name}/" # Note: we are assuming a convention for the test ICs, params, and exact values - paramsfile = f"{test_name}.params" icfile = f"{test_name}_ics.hdf5" exactfile = f"{test_name}_exact.txt" # exact solution (might not exist!) exactfile2 = f"{test_name}_exact.hdf5" # exact solution (might not exist!) - for f in paramsfile, icfile, exactfile, exactfile2: + for f in icfile, exactfile, exactfile2: try: urlretrieve(website_path + f, f) except HTTPError as err: @@ -33,13 +32,13 @@ def download_test_files(test_name: str): except HTTPError as err: print(f"Could not find {f} at {website_path} or {website_path2}") - if not (path.isfile(icfile) and path.isfile(paramsfile)): + if not path.isfile(icfile): raise (FileNotFoundError(f"Could not find ICs and params for test {test_name}")) def run_test(test_name: str): """Runs the test""" - paramsfile = f"{test_name}.params" + paramsfile = f"test/{test_name}/{test_name}.params" system(f"mpirun ./GIZMO {paramsfile} 0 1>test_{test_name}.out 2>test_{test_name}.err") diff --git a/test/gmc_cooling/gmc_cooling.params b/test/gmc_cooling/gmc_cooling.params new file mode 100644 index 000000000..666f4c473 --- /dev/null +++ b/test/gmc_cooling/gmc_cooling.params @@ -0,0 +1,249 @@ +%------------------------------------------------------------------------- +%---- This file contains the input parameters needed at run-time for +% simulations. It is based on and closely resembles the GADGET-3 +% parameterfile (format of which and parsing routines written by +% Volker Springel [volker.springel@h-its.org]). It has been updated +% with new naming conventions and additional variables as needed by +% Phil Hopkins [phopkins@caltech.edu] for GIZMO. +%------------------------------------------------------------------------- + +%---- Relevant files (filenames and directories) +InitCondFile gmc_cooling_ics +OutputDir test/gmc_cooling/output + +%---- File formats (input and output) +ICFormat 3 % 1=unformatted (gadget) binary, 3=hdf5, 4=cluster +SnapFormat 3 % 1=unformatted (gadget) binary, 3=hdf5 + + +%---- Output parameters +RestartFile restart +SnapshotFileBase snapshot +OutputListOn 0 % =1 to use list in "OutputListFilename" +OutputListFilename output_times.txt % list of times (in code units) for snaps +NumFilesPerSnapshot 1 +NumFilesWrittenInParallel 1 % must be < N_processors & power of 2 + +%---- Output frequency +TimeOfFirstSnapshot 0. % time (code units) of first snapshot +TimeBetSnapshot 0.1 % time between (if OutputListOn=0), code units +TimeBetStatistics 2.52e-02 % time between additional statistics (e.g. energy) + +%---- CPU run-time and checkpointing time-limits +TimeLimitCPU 172800 % in seconds +CpuTimeBetRestartFile 7200 % in seconds +ResubmitOn 0 +ResubmitCommand my-scriptfile + +%---- Desired simulation beginning and end times (in code units) for run +TimeBegin 0.0 % Beginning of the simulation +TimeMax 1.0 % End of the simulation + +%---- Maximum and minimum timesteps allowed +MaxSizeTimestep 2.52e-02 % in code units, set for your problem +MinSizeTimestep 1.0e-15 % set this very low, or get the wrong answer + + +%---- System of units +UnitLength_in_cm 3.09e+18 +UnitMass_in_g 1.99e+33 +UnitVelocity_in_cm_per_s 1.00e+05 +UnitMagneticField_in_gauss 1.00e+00 +GravityConstantInternal 1e-100 % calculated by code if =0 + +%---- Cosmological parameters +ComovingIntegrationOn 0 % is it cosmological? (yes=1, no=0) +BoxSize 1.00e+02 % in code units +Omega0 0. % =0 for non-cosmological +OmegaLambda 0. % =0 for non-cosmological +OmegaBaryon 0. % =0 for non-cosmological +HubbleParam 1. % little 'h'; =1 for non-cosmological runs + + +%----- Memory allocation +MaxMemSize 5000 % sets maximum MPI process memory use in MByte +PartAllocFactor 5.0 % memory load allowed for better cpu balance +BufferSize 500 % in MByte + +%---- Rebuild domains when >this fraction of particles active +TreeDomainUpdateFrequency 0.005 % 0.0005-0.05, dept on core+particle number + + +%---- (Optional) Initial hydro temperature & temperature floor (in Kelvin) +InitGasTemp 1e4 % set by IC file if =0 +MinGasTemp 2.73 % don't trust cooling function below ~5K, whether dust, molecular lines, or photoelectric heating + +%---- Hydro reconstruction (kernel) parameters +DesNumNgb 32 % domain-reconstruction kernel number: 32 standard, 60-114 for quintic +MaxHsml 1.0e10 % minimum gas kernel length (some very large value to prevent errors) +MinGasHsmlFractional 0 % minimum kernel length relative to gas force softening (<= 1) + + +%---- Gravitational softening lengths +%----- Softening lengths per particle type. If ADAPTIVE_GRAVSOFT is set, these +%-------- are the minimum softening allowed for each type ------- +%-------- (units are co-moving for cosmological integrations) +SofteningGas 1e-10 % gas (particle type=0) (in co-moving code units) +SofteningHalo 0.020 % dark matter/collisionless particles (type=1) +SofteningDisk 0.150 % collisionless particles (type=2) +SofteningBulge 0.500 % collisionless particles (type=3) +SofteningStars 1.00e-01 % stars spawned from gas (type=4) +SofteningBndry 1.00e-01 % black holes (if active), or collisionless (type=5) + +%---- if these are set in cosmo runs, SofteningX switches from comoving to physical +%------- units when the comoving value exceeds the choice here +%------- (these are ignored, and *only* the above are used, for non-cosmo runs) +SofteningGasMaxPhys 0.0005 % e.g. switch to 0.5pc physical below z=1 +SofteningHaloMaxPhys 0.010 +SofteningDiskMaxPhys 0.075 +SofteningBulgeMaxPhys 0.250 +SofteningStarsMaxPhys 0.0005 +SofteningBndryMaxPhys 0.0005 +%----- parameters for adaptive gravitational softening +AGS_DesNumNgb 32 % neighbor number for calculating adaptive gravsoft + + + + +%------------------------------------------------------------------------- +%------------------------------------------------------------------------- +%---------- Physics Modules ---------------------------------------------- +%------------------------------------------------------------------------- +%------------------------------------------------------------------------- + + +%------------------------------------------------------------ +%------------------ Additional Fluid Physics ---------------- +%------------------------------------------------------------ + +%---- Magneto-Hydrodynamics Parameters (MAGNETIC on) +%----- Initial B-Field Strengths (if MHD_B_SET_IN_PARAMS on, otherwise read from IC file) +BiniX 1.0e-8 % initial B_x, in code units +BiniY 1.0e-8 % initial B_y, in code units +BiniZ 1.0e-8 % initial B_z, in code units + +%---- Thermal Conduction (CONDUCTION on) +%----- set coefficient kappa [code units] or, if CONDUCTION_SPITZER on, multiplies value +ConductionCoeff 1.0 % set/multiply conduction coefficient + +%---- Navier-Stokes Viscosity (VISCOSITY on) +%--- set coefficients eta,zeta [code units] or, if VISCOSITY_BRAGINSKII on, multiplies value +ShearViscosityCoeff 1.0 % set/multiply shear viscosity coefficient +BulkViscosityCoeff 1.0 % set/multiply bulk viscosity coefficient + +%---- Turbulent Diffusion Master Switch (TURB_DIFFUSION on) +TurbDiffusionCoefficient 1.0 % Normalizes diffusion rates relative to Smagorinsky-Lilly theory [best calibration] (~0.5-2) + +%---- Cosmic Ray + Gas Fluids (COSMIC_RAYS on) +CosmicRayDiffusionCoeff 1.0 % multiplies anisotropic diffusion/streaming coefficients + +%---- Dust-Gas Mixtures (GRAIN_FLUID on) +Grain_Internal_Density 1.0 % internal/material density of grains in g/cm^3 +Grain_Size_Min 1.e-6 % minimum grain size in cm +Grain_Size_Max 1.e-4 % maximum grain size in cm +Grain_Size_Spectrum_Powerlaw 0.5 % power-law distribution of grain sizes (dm/dlnr~r^x) + + +%------------------------------------------------------------------------- +%------------------ Star, Black Hole, and Galaxy Formation --------------- +%------------------------------------------------------------------------- + + +%---- Star Formation parameters (GALSF on) +CritPhysDensity 1.00e+02 % critical physical density for star formation (cm^(-3)) +SfEffPerFreeFall 1.0 % SFR/(Mgas/tfreefall) for gas which meets SF criteria + + + +%-------------- FIRE (PFH) explicit star formation & feedback model (FIRE on) +%--- initial metallicity of gas & stars in simulation +InitMetallicity 1.00e+00 % initial gas+stellar metallicity (in solar) +InitStellarAge 0.0 % initial mean age (in Gyr; for stars in sim ICs) +%--- local radiation-pressure driven winds (GALSF_FB_FIRE_RT_LOCALRP) +WindMomentumLoading 1.0 % fraction of photon momentum to couple +%--- SneII Heating Model (GALSF_FB_MECHANICAL) +SNeIIEnergyFrac 1.0 % fraction of mechanical energy to couple +%--- HII region photo-heating model (GALSF_FB_FIRE_RT_HIIHEATING) +HIIRegion_fLum_Coupled 1.0 % fraction of ionizing photons allowed to see gas +%--- long-range radiation pressure acceleration (GALSF_FB_FIRE_RT_LONGRANGE) +PhotonMomentum_Coupled_Fraction 1.0 % fraction of L to allow incident +PhotonMomentum_fUV 0.0 % incident SED f(L) in UV (minimum scattering) +PhotonMomentum_fOPT 0.0 % incident SED f(L) in optical/near-IR +%--- gas return/recycling +GasReturnFraction 1.0 % fraction of gas mass returned (relative to ssp) +GasReturnEnergy 1.0 % fraction of returned gas energy+momentum (relative to ssp) +%--- cosmic rays (COSMIC_RAYS) +CosmicRay_SNeFraction 0.1 % fraction of SNe ejecta kinetic energy into cosmic rays (~10%) + +InterstellarRadiationFieldStrength 1.00e+00 % interstellar radiation field intensity relative to values measured in Solar neighborhood + +%-------------- Black Hole accretion & formation (BLACK_HOLES on) +%--- formation/seeding +SeedBlackHoleMass 5.00e-01 % initial mass (on-the-fly or single galaxy) +SeedAlphaDiskMass 0.0 % initial mass in the alpha disk (BH_ALPHADISK_ACCRETION) +SeedBlackHoleMinRedshift 2.0 % minimum redshift where new BH particles are seeded (lower-z ceases seeding) +SeedBlackHoleMassSigma 0.5 % lognormal standard deviation (in dex) in initial BH seed masses +%----- (specific options for on-the-fly friends-of-friends based BH seeding: FOF on) +MinFoFMassForNewSeed 10. % minimum mass of FOF group (stars or DM) to get seed, in code units +TimeBetOnTheFlyFoF 1.01 % time (in code units, e.g. scale-factor) between on-the-fly FOF searches +%--- accretion +BlackHoleAccretionFactor 1.0 % multiplier for mdot (relative to model) +BlackHoleEddingtonFactor 1e100 % fraction of eddington to cap (can be >1) +BlackHoleNgbFactor 1.0 % multiplier for kernel neighbors for BH +BlackHoleMaxAccretionRadius 1.00e+02 % max radius for BH neighbor search/accretion (code units) +BlackHoleRadiativeEfficiency 5e-7 % radiative efficiency (for accretion and feedback) +%--- feedback +BlackHoleFeedbackFactor 1.0 % generic feedback strength multiplier +BH_FluxMomentumFactor 0.0 % multiply radiation pressure (BH_PHOTONMOMENTUM), set it to zero to avoid launching gas from rad. pressure +BAL_f_accretion 0.7 % fraction of gas swallowed by BH (BH_WIND options) +BAL_v_outflow 100. % velocity (km/s) of BAL outflow (BH_WIND options) +BAL_internal_temperature 1.0e3 % internal temperature (K) of BAL outflow (BH_WIND_SPAWN) +BAL_wind_particle_mass 1.00e-01 % mass of 'virtual wind particles' in code units (BH_WIND_SPAWN) +BAL_wind_particle_mass_MS 1.00e-02 % mass of 'virtual wind particles' in MS stellar winds, if 0 then BAL_wind_particle_mass is used, in code units (SINGLE_STAR_FB_WINDS) + + +%------------------------------------------------------------------------- +%------------------ Grackle cooling module ----------------- +%------------------------------------------------------------------------- + +%-------------- Grackle UVB file (COOL_GRACKLE on) +GrackleDataFile CloudyData_UVB=HM2012.h5 + + + +%------------------------------------------------------------------------- +%------------------ Driven Turbulence (Large-Eddy boxes) ----------------- +%------------------------------------------------------------------------- + +%-------------- Turbulent stirring parameters (TURB_DRIVING on) +TurbDrive_ApproxRMSVturb 3.21e+00 +TurbDrive_MinWavelength 5.00e+00 +TurbDrive_MaxWavelength 2.00e+01 +TurbDrive_SolenoidalFraction 1 +TurbDrive_CoherenceTime 2.51e+00 +TurbDrive_DrivingSpectrum 1 +TurbDrive_RandomNumberSeed 42 +TurbDrive_TimeBetweenTurbUpdates 2.52e-02 +TurbDrive_TimeBetTurbSpectrum 2.52e-02 + + +%------------------------------------------------------------------------------------------------- +%------------------ Non-Standard Dark Matter, Dark Energy, Gravity, or Expansion ----------------- +%------------------------------------------------------------------------------------------------- + +%-------------- Parameters for non-standard or time-dependent Gravity/Dark Energy/Expansion (GR_TABULATED_COSMOLOGY on) +DarkEnergyConstantW -1 % time-independent DE parameter w, used only if no table +TabulatedCosmologyFile CosmoTbl % table with cosmological parameters + +%--- Developer-Mode Parameters (usually hard-coded, but set manually if DEVELOPER_MODE is on) -------- +ErrTolTheta 0.5 % 0.7=standard +ErrTolForceAcc 0.0025 % 0.0025=standard +ErrTolIntAccuracy 0.01 % <0.02 +CourantFac 0.2 % <0.20 +MaxRMSDisplacementFac 0.125 % <0.25 +MaxNumNgbDeviation 0.05 % <this fraction of particles active +TreeDomainUpdateFrequency 0.005 % 0.0005-0.05, dept on core+particle number + + +%---- (Optional) Initial hydro temperature & temperature floor (in Kelvin) +InitGasTemp 1e4 % set by IC file if =0 +MinGasTemp 2.73 % don't trust cooling function below ~5K, whether dust, molecular lines, or photoelectric heating + +%---- Hydro reconstruction (kernel) parameters +DesNumNgb 32 % domain-reconstruction kernel number: 32 standard, 60-114 for quintic +MaxHsml 1.0e10 % minimum gas kernel length (some very large value to prevent errors) +MinGasHsmlFractional 0 % minimum kernel length relative to gas force softening (<= 1) + + +%---- Gravitational softening lengths +%----- Softening lengths per particle type. If ADAPTIVE_GRAVSOFT is set, these +%-------- are the minimum softening allowed for each type ------- +%-------- (units are co-moving for cosmological integrations) +SofteningGas 1e-10 % gas (particle type=0) (in co-moving code units) +SofteningHalo 0.020 % dark matter/collisionless particles (type=1) +SofteningDisk 0.150 % collisionless particles (type=2) +SofteningBulge 0.500 % collisionless particles (type=3) +SofteningStars 1.00e-01 % stars spawned from gas (type=4) +SofteningBndry 1.00e-01 % black holes (if active), or collisionless (type=5) + +%---- if these are set in cosmo runs, SofteningX switches from comoving to physical +%------- units when the comoving value exceeds the choice here +%------- (these are ignored, and *only* the above are used, for non-cosmo runs) +SofteningGasMaxPhys 0.0005 % e.g. switch to 0.5pc physical below z=1 +SofteningHaloMaxPhys 0.010 +SofteningDiskMaxPhys 0.075 +SofteningBulgeMaxPhys 0.250 +SofteningStarsMaxPhys 0.0005 +SofteningBndryMaxPhys 0.0005 +%----- parameters for adaptive gravitational softening +AGS_DesNumNgb 32 % neighbor number for calculating adaptive gravsoft + + + + +%------------------------------------------------------------------------- +%------------------------------------------------------------------------- +%---------- Physics Modules ---------------------------------------------- +%------------------------------------------------------------------------- +%------------------------------------------------------------------------- + + +%------------------------------------------------------------ +%------------------ Additional Fluid Physics ---------------- +%------------------------------------------------------------ + +%---- Magneto-Hydrodynamics Parameters (MAGNETIC on) +%----- Initial B-Field Strengths (if MHD_B_SET_IN_PARAMS on, otherwise read from IC file) +BiniX 1.0e-8 % initial B_x, in code units +BiniY 1.0e-8 % initial B_y, in code units +BiniZ 1.0e-8 % initial B_z, in code units + +%---- Thermal Conduction (CONDUCTION on) +%----- set coefficient kappa [code units] or, if CONDUCTION_SPITZER on, multiplies value +ConductionCoeff 1.0 % set/multiply conduction coefficient + +%---- Navier-Stokes Viscosity (VISCOSITY on) +%--- set coefficients eta,zeta [code units] or, if VISCOSITY_BRAGINSKII on, multiplies value +ShearViscosityCoeff 1.0 % set/multiply shear viscosity coefficient +BulkViscosityCoeff 1.0 % set/multiply bulk viscosity coefficient + +%---- Turbulent Diffusion Master Switch (TURB_DIFFUSION on) +TurbDiffusionCoefficient 1.0 % Normalizes diffusion rates relative to Smagorinsky-Lilly theory [best calibration] (~0.5-2) + +%---- Cosmic Ray + Gas Fluids (COSMIC_RAYS on) +CosmicRayDiffusionCoeff 1.0 % multiplies anisotropic diffusion/streaming coefficients + +%---- Dust-Gas Mixtures (GRAIN_FLUID on) +Grain_Internal_Density 1.0 % internal/material density of grains in g/cm^3 +Grain_Size_Min 1.e-6 % minimum grain size in cm +Grain_Size_Max 1.e-4 % maximum grain size in cm +Grain_Size_Spectrum_Powerlaw 0.5 % power-law distribution of grain sizes (dm/dlnr~r^x) + + +%------------------------------------------------------------------------- +%------------------ Star, Black Hole, and Galaxy Formation --------------- +%------------------------------------------------------------------------- + + +%---- Star Formation parameters (GALSF on) +CritPhysDensity 1.00e+02 % critical physical density for star formation (cm^(-3)) +SfEffPerFreeFall 1.0 % SFR/(Mgas/tfreefall) for gas which meets SF criteria + + + +%-------------- FIRE (PFH) explicit star formation & feedback model (FIRE on) +%--- initial metallicity of gas & stars in simulation +InitMetallicity 1.00e+00 % initial gas+stellar metallicity (in solar) +InitStellarAge 0.0 % initial mean age (in Gyr; for stars in sim ICs) +%--- local radiation-pressure driven winds (GALSF_FB_FIRE_RT_LOCALRP) +WindMomentumLoading 1.0 % fraction of photon momentum to couple +%--- SneII Heating Model (GALSF_FB_MECHANICAL) +SNeIIEnergyFrac 1.0 % fraction of mechanical energy to couple +%--- HII region photo-heating model (GALSF_FB_FIRE_RT_HIIHEATING) +HIIRegion_fLum_Coupled 1.0 % fraction of ionizing photons allowed to see gas +%--- long-range radiation pressure acceleration (GALSF_FB_FIRE_RT_LONGRANGE) +PhotonMomentum_Coupled_Fraction 1.0 % fraction of L to allow incident +PhotonMomentum_fUV 0.0 % incident SED f(L) in UV (minimum scattering) +PhotonMomentum_fOPT 0.0 % incident SED f(L) in optical/near-IR +%--- gas return/recycling +GasReturnFraction 1.0 % fraction of gas mass returned (relative to ssp) +GasReturnEnergy 1.0 % fraction of returned gas energy+momentum (relative to ssp) +%--- cosmic rays (COSMIC_RAYS) +CosmicRay_SNeFraction 0.1 % fraction of SNe ejecta kinetic energy into cosmic rays (~10%) + +InterstellarRadiationFieldStrength 1.00e+00 % interstellar radiation field intensity relative to values measured in Solar neighborhood + +%-------------- Black Hole accretion & formation (BLACK_HOLES on) +%--- formation/seeding +SeedBlackHoleMass 5.00e-01 % initial mass (on-the-fly or single galaxy) +SeedAlphaDiskMass 0.0 % initial mass in the alpha disk (BH_ALPHADISK_ACCRETION) +SeedBlackHoleMinRedshift 2.0 % minimum redshift where new BH particles are seeded (lower-z ceases seeding) +SeedBlackHoleMassSigma 0.5 % lognormal standard deviation (in dex) in initial BH seed masses +%----- (specific options for on-the-fly friends-of-friends based BH seeding: FOF on) +MinFoFMassForNewSeed 10. % minimum mass of FOF group (stars or DM) to get seed, in code units +TimeBetOnTheFlyFoF 1.01 % time (in code units, e.g. scale-factor) between on-the-fly FOF searches +%--- accretion +BlackHoleAccretionFactor 1.0 % multiplier for mdot (relative to model) +BlackHoleEddingtonFactor 1e100 % fraction of eddington to cap (can be >1) +BlackHoleNgbFactor 1.0 % multiplier for kernel neighbors for BH +BlackHoleMaxAccretionRadius 1.00e+02 % max radius for BH neighbor search/accretion (code units) +BlackHoleRadiativeEfficiency 5e-7 % radiative efficiency (for accretion and feedback) +%--- feedback +BlackHoleFeedbackFactor 1.0 % generic feedback strength multiplier +BH_FluxMomentumFactor 0.0 % multiply radiation pressure (BH_PHOTONMOMENTUM), set it to zero to avoid launching gas from rad. pressure +BAL_f_accretion 0.7 % fraction of gas swallowed by BH (BH_WIND options) +BAL_v_outflow 100. % velocity (km/s) of BAL outflow (BH_WIND options) +BAL_internal_temperature 1.0e3 % internal temperature (K) of BAL outflow (BH_WIND_SPAWN) +BAL_wind_particle_mass 1.00e-01 % mass of 'virtual wind particles' in code units (BH_WIND_SPAWN) +BAL_wind_particle_mass_MS 1.00e-02 % mass of 'virtual wind particles' in MS stellar winds, if 0 then BAL_wind_particle_mass is used, in code units (SINGLE_STAR_FB_WINDS) + + +%------------------------------------------------------------------------- +%------------------ Grackle cooling module ----------------- +%------------------------------------------------------------------------- + +%-------------- Grackle UVB file (COOL_GRACKLE on) +GrackleDataFile CloudyData_UVB=HM2012.h5 + + + +%------------------------------------------------------------------------- +%------------------ Driven Turbulence (Large-Eddy boxes) ----------------- +%------------------------------------------------------------------------- + +%-------------- Turbulent stirring parameters (TURB_DRIVING on) +TurbDrive_ApproxRMSVturb 3.21e+00 +TurbDrive_MinWavelength 5.00e+00 +TurbDrive_MaxWavelength 2.00e+01 +TurbDrive_SolenoidalFraction 1 +TurbDrive_CoherenceTime 2.51e+00 +TurbDrive_DrivingSpectrum 1 +TurbDrive_RandomNumberSeed 42 +TurbDrive_TimeBetweenTurbUpdates 2.52e-02 +TurbDrive_TimeBetTurbSpectrum 2.52e-02 + + +%------------------------------------------------------------------------------------------------- +%------------------ Non-Standard Dark Matter, Dark Energy, Gravity, or Expansion ----------------- +%------------------------------------------------------------------------------------------------- + +%-------------- Parameters for non-standard or time-dependent Gravity/Dark Energy/Expansion (GR_TABULATED_COSMOLOGY on) +DarkEnergyConstantW -1 % time-independent DE parameter w, used only if no table +TabulatedCosmologyFile CosmoTbl % table with cosmological parameters + +%--- Developer-Mode Parameters (usually hard-coded, but set manually if DEVELOPER_MODE is on) -------- +ErrTolTheta 0.5 % 0.7=standard +ErrTolForceAcc 0.0025 % 0.0025=standard +ErrTolIntAccuracy 0.01 % <0.02 +CourantFac 0.2 % <0.20 +MaxRMSDisplacementFac 0.125 % <0.25 +MaxNumNgbDeviation 0.05 % <gXIk`n^!OgsH=pC zw1|Yz4SNp{H<*m5sLTJpKm_{APP9uWPZQjP((SPkjEszxUrCaR!B~T z`}YIS`)#HV!B;LVUwu>r_!>P!;r;KoWWLOckS@`_z&QJebje!C8#w8T$L!DkKiuU0 zlBRh`$v}Ji*{pzVO0qb)?Taxn2ZD^Gm%82C+Z%AaGeMTF5SaS;^Jfj|a&7aB{pAEL zA6x^*>p-0J8rC!@f4qDn91i*Y!ZDHbs$exm^%E(o9KJt}PnwA+ZjQJl_K}$x>efGh 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zOxIBcE9Ps9r?tk;#%g0>N WKW#lS;MWJ!L5vK~pDH-v68;~L&{GNk From 1fe15c978e8f9e54f8a380df0ba566261c28d502 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Wed, 11 Mar 2026 10:45:05 -0400 Subject: [PATCH 39/90] Makefile.systype cleanup --- Makefile.systype | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/Makefile.systype b/Makefile.systype index aada74007..7504ff042 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -13,7 +13,7 @@ #SYSTYPE="Wheeler" #SYSTYPE="CaltechHPC" #SYSTYPE="MacBookPro" -SYSTYPE="MacBookCellar" +#SYSTYPE="MacBookCellar" #SYSTYPE="Quest" #SYSTYPE="Quest-intel" #SYSTYPE="TSCC" @@ -40,7 +40,7 @@ SYSTYPE="MacBookCellar" #SYSTYPE="HLRB2" #SYSTYPE="MPA" #SYSTYPE="VIP" -#SYSTYPE="Ubuntu" +SYSTYPE="Ubuntu" #SYSTYPE="MBM" #SYSTYPE="OpteronMPA-Gnu" #SYSTYPE="OpteronMPA-Intel" From 15fee08765cc01a94151f8cda9940f9cb4126359 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Wed, 11 Mar 2026 15:40:42 -0400 Subject: [PATCH 40/90] test removing optimize flags 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4270 -> 0 bytes ...t_gmc_cooling_rt.cpython-311-pytest-9.0.2.pyc | Bin 6165 -> 0 bytes .../test_gmc_cooling_rt.cpython-311.pyc | Bin 4382 -> 0 bytes 5 files changed, 2 insertions(+), 2 deletions(-) delete mode 100644 test/gmc_cooling_rt/__pycache__/test_gmc_cooling.cpython-311-pytest-9.0.2.pyc delete mode 100644 test/gmc_cooling_rt/__pycache__/test_gmc_cooling.cpython-311.pyc delete mode 100644 test/gmc_cooling_rt/__pycache__/test_gmc_cooling_rt.cpython-311-pytest-9.0.2.pyc delete mode 100644 test/gmc_cooling_rt/__pycache__/test_gmc_cooling_rt.cpython-311.pyc diff --git a/Makefile b/Makefile index 2fd1b4c6c..fd2b150d3 100644 --- a/Makefile +++ b/Makefile @@ -574,8 +574,8 @@ ifeq ($(SYSTYPE),"Ubuntu") CC = mpicc CXX = mpiccxx FC = $(CC) -#OPTIMIZE = -g -fcommon -O1 -funroll-loops -finline-functions -funswitch-loops -fpredictive-commoning -fgcse-after-reload -fipa-cp-clone ## optimizations for gcc compilers (1/2) -#OPTIMIZE += -ftree-loop-distribute-patterns -fvect-cost-model -ftree-partial-pre ## optimizations for gcc compilers (2/2) +OPTIMIZE = -g -fcommon -O1 -funroll-loops -finline-functions -funswitch-loops -fpredictive-commoning -fgcse-after-reload -fipa-cp-clone ## optimizations for gcc compilers (1/2) +OPTIMIZE += -ftree-loop-distribute-patterns -fvect-cost-model -ftree-partial-pre ## optimizations for gcc compilers (2/2) OPTIMIZE += -g -Wall # compiler warnings ifeq (CHIMES,$(findstring CHIMES,$(CONFIGVARS))) CXX = mpic++ diff --git a/test/gmc_cooling_rt/__pycache__/test_gmc_cooling.cpython-311-pytest-9.0.2.pyc b/test/gmc_cooling_rt/__pycache__/test_gmc_cooling.cpython-311-pytest-9.0.2.pyc deleted file mode 100644 index 4747bc43cf7acfff9c81cee94e2650d5103744e8..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 6053 zcmdT|U2NOd6(%K0qC`oyY{#+Ow2>1xwcJ#;oY+a5+O8AFb+*P?S_4~ztOQNcwi5ox zB-O;Kgc(IQcvuD)!@7A}3wXemxrhg3zy@S*0g85gq&f~YE?{85(1$z>aFGru^0ad) 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y)t53JmQ>3IV&|N^ff81uvVjg+^<@LKSd~)pzDa$jgzBqzDL*w#l~Ci_5$%6Y^)R^r From bafe8a9e0a2bfdc55008663d3dabe9059b34a70d Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Wed, 11 Mar 2026 17:34:20 -0400 Subject: [PATCH 42/90] don't run tests on every push --- .github/workflows/test.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 7eb28c7de..8fca7bca5 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -4,7 +4,7 @@ name: Tests on: - [push, pull_request] + [pull_request] jobs: build: From b8439c8d30de406726ca26258152074454173c64 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Wed, 11 Mar 2026 17:54:50 -0400 Subject: [PATCH 43/90] 30km/s speed of light for RT gmc cooling test --- test/gmc_cooling_rt/Config.sh | 1 + 1 file changed, 1 insertion(+) diff --git a/test/gmc_cooling_rt/Config.sh b/test/gmc_cooling_rt/Config.sh index 2b90ba480..63dddbf84 100644 --- a/test/gmc_cooling_rt/Config.sh +++ b/test/gmc_cooling_rt/Config.sh @@ -7,3 +7,4 @@ COOL_METAL_LINES_BY_SPECIES BOX_PERIODIC GRAVITY_NOT_PERIODIC ADAPTIVE_TREEFORCE_UPDATE=0.0625 +RT_SPEEDOFLIGHT_REDUCTION=1e-4 From a238503b404bdbf43f7a7f82fc3d306312271acf Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Wed, 11 Mar 2026 18:18:04 -0400 Subject: [PATCH 44/90] add tracking of plots on github --- Makefile.systype | 4 ++-- test/gmc_cooling/nH_vs_T.png | Bin 0 -> 67624 bytes test/gmc_cooling_rt/nH_vs_T.png | Bin 75343 -> 62725 bytes 3 files changed, 2 insertions(+), 2 deletions(-) create mode 100644 test/gmc_cooling/nH_vs_T.png diff --git a/Makefile.systype b/Makefile.systype index 7504ff042..aada74007 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -13,7 +13,7 @@ #SYSTYPE="Wheeler" #SYSTYPE="CaltechHPC" #SYSTYPE="MacBookPro" -#SYSTYPE="MacBookCellar" +SYSTYPE="MacBookCellar" #SYSTYPE="Quest" #SYSTYPE="Quest-intel" #SYSTYPE="TSCC" @@ -40,7 +40,7 @@ #SYSTYPE="HLRB2" #SYSTYPE="MPA" #SYSTYPE="VIP" -SYSTYPE="Ubuntu" 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z2VU0HmU4X@(lP|@7eCFM`{`IsTnAln$$Q2BdS>T5!P&*dY<0D|qf%qtZWt08>bwiHCio=Esu)~s$sE$hb=w)-cqGv)`B}ln3Qlj<__YGF&hWoAnSz! zYw#>gT|kd$R3GI7P0CqkjE}#M#g3ft_d~)l$Fo$kutHSIF6yw8)Kr*^@7-H9y%otQ z{BsoIVb7GPOz1qtm56-k8?=2G+fD)Em)-5dPF$=vJFs@bCyO@w`-7MUgAAvN*k?+| z;~5S=z&r=FSZ_!Vr2IP09N|n_<A???Bw>|V^$_6(?=0?~!~ zN?2^@I{;%Ied|QgLnTE{9pZGAM5ZOWP|s_qtLLwlW4w$!dll=ZAYK1IVv_jqJDa|| zOvPcz$8#JxV}{M9?Pqu~f~^Hh)9ml5D;ryox@-uLf4#b29FxFvbRzHQT-Z zi^Ynva9#?EJ5=FIEdAIKJ&QzJP@!n_HgO|CiXZH$%VgT=G08YEYX&1qqi34pZ2mK{g&Xb^wkCAPhiL0EocGga89!&O^d3(iL(q m0J;q5+W_bR7*+p=;5V=@w62|gay%ER174oK9`$Zv+5ZCD^07hy From 05a3b61c9d7cbfe1362842bdb3a133a4c723667b Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Wed, 11 Mar 2026 19:29:41 -0400 Subject: [PATCH 45/90] makefile systype --- Makefile.systype | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/Makefile.systype b/Makefile.systype index aada74007..7504ff042 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -13,7 +13,7 @@ #SYSTYPE="Wheeler" #SYSTYPE="CaltechHPC" #SYSTYPE="MacBookPro" -SYSTYPE="MacBookCellar" +#SYSTYPE="MacBookCellar" #SYSTYPE="Quest" #SYSTYPE="Quest-intel" #SYSTYPE="TSCC" @@ -40,7 +40,7 @@ SYSTYPE="MacBookCellar" #SYSTYPE="HLRB2" #SYSTYPE="MPA" #SYSTYPE="VIP" -#SYSTYPE="Ubuntu" +SYSTYPE="Ubuntu" #SYSTYPE="MBM" #SYSTYPE="OpteronMPA-Gnu" #SYSTYPE="OpteronMPA-Intel" From 6e9e86947ab38cb3b0038beef3b293e4eefcbdd6 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 16 Mar 2026 13:33:27 -0400 Subject: [PATCH 46/90] documentation for running and implementing tests --- Makefile.systype | 4 ++-- test/build_gizmo_for_test.sh | 2 +- test/gmc_cooling/test_gmc_cooling.py | 12 ++++++++++++ test/how_to_add_new_tests.md | 24 ++++++++++++++++++++++++ test/how_to_run_tests.md | 18 ++++++++++++++++++ 5 files changed, 57 insertions(+), 3 deletions(-) create mode 100644 test/how_to_add_new_tests.md create mode 100644 test/how_to_run_tests.md diff --git a/Makefile.systype b/Makefile.systype index 7504ff042..aada74007 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -13,7 +13,7 @@ #SYSTYPE="Wheeler" #SYSTYPE="CaltechHPC" #SYSTYPE="MacBookPro" -#SYSTYPE="MacBookCellar" +SYSTYPE="MacBookCellar" #SYSTYPE="Quest" #SYSTYPE="Quest-intel" #SYSTYPE="TSCC" @@ -40,7 +40,7 @@ #SYSTYPE="HLRB2" #SYSTYPE="MPA" #SYSTYPE="VIP" -SYSTYPE="Ubuntu" +#SYSTYPE="Ubuntu" #SYSTYPE="MBM" #SYSTYPE="OpteronMPA-Gnu" #SYSTYPE="OpteronMPA-Intel" diff --git a/test/build_gizmo_for_test.sh b/test/build_gizmo_for_test.sh index fb9c27367..f720e4c27 100644 --- a/test/build_gizmo_for_test.sh +++ b/test/build_gizmo_for_test.sh @@ -1,5 +1,5 @@ # Generic commands to build GIZMO for a given test +rm GIZMO cp test/$TEST_NAME/Config.sh . # retrieve the config file -#echo 'SYSTYPE="Ubuntu"' > Makefile.systype # update makefile.systype make diff --git a/test/gmc_cooling/test_gmc_cooling.py b/test/gmc_cooling/test_gmc_cooling.py index d4026fe3a..f79c7405f 100644 --- a/test/gmc_cooling/test_gmc_cooling.py +++ b/test/gmc_cooling/test_gmc_cooling.py @@ -42,12 +42,24 @@ def compute_test_statistic(f, save_reference_solution=False, plot=False): def test_gmc_cooling(): + # specify the test name test_name = "gmc_cooling" + + # download necessary cooling tables (needed for tests with COOLING flag) get_cooling_tables() + + # build GIZMO and run the test build_and_run_test(test_name) + + # Check that the specific required output file exists: if not path.isfile("test/gmc_cooling/output/snapshot_010.hdf5"): raise (RuntimeError("GIZMO did not run successfully.")) + # Compute a test statistic from the output test_stats = compute_test_statistic("test/gmc_cooling/output/snapshot_010.hdf5", plot=True) + + # compute that same test statistic from a benchmark snapshot benchmark_stats = compute_test_statistic("gmc_cooling_exact.hdf5") + + # check that the test and benchmark agree within 10% assert np.all(np.isclose(test_stats, benchmark_stats, rtol=0.1)) diff --git a/test/how_to_add_new_tests.md b/test/how_to_add_new_tests.md new file mode 100644 index 000000000..4fbe1b04a --- /dev/null +++ b/test/how_to_add_new_tests.md @@ -0,0 +1,24 @@ +# How to add new tests + +Whenever you add a new feature to `gizmo` or fix a bug, you are probably running some kind of test to make sure that it works already. With a little extra work, we can package that test into something that can be run automatically by anyone, which can save a lot of work in the long run. + +## Anatomy of a test + +Every test has: +1. A name, e.g. `my_test_name`. This is must be a unique identifier. +2. A subdirectory of `gizmo/test` to store the files associated uniquely with the test, e.g. `gizmo/test/my_test_name`. +3. An initial conditions file. This follows the filename convention `my_test_name_ics.hdf5`. These can be too big for the git repo, so are stored remotely. gizmo will currently try to find it in one of two places: `http://www.tapir.caltech.edu/~phopkins/sims`, or `https://users.flatironinstitute.org/~mgrudic/gizmo_tests/my_test_name/`. +4. The `Config.sh` of option flags with which to build GIZMO for that test. This should be tracked by git and go in `gizmo/test/my_test_name/Config.sh`. +5. The parameters file of runtime parameters passed to GIZMO: `gizmo/test/my_test_name/my_test_name.params`. +6. The python source file containing the actual implementation of the pytest test: `gizmo/test/my_test_name/my_test_name.py`. See [Test implementation](#test-implementation) for what this should look like. +7. The test readme `gizmo/test/my_test_name/README.md` that contains a description of the test. +8. **OPTIONAL**: A reference plaintext and/or HDF5 data file containing data describing the exact or benchmark solution, named `my_test_name_exact.txt` and/or `my_test_name_exact.hdf5`. These should live in the same place as the IC file, and will be downloaded on-the-fly whent he + +## Test implementation + +The actual pass/fail logic of your test should be implemented in a function `test_my_test_name()` in `gizmo/test/my_test_name/my_test_name.py`. This will generally vary from test to test, but the basic idea is to run the simulation, and have some test statistic that you compute from its output to compare with a reference value. This comparison is done via `assert` statement(s) in the `test_my_test_name()` routine. The function may also be responsible for downloading any other special files needed to run GIZMO or perform the test. + +### Example: gmc_cooling + +This is the implementation of the [gmc_cooling](https://github.com/mikegrudic/gizmo_imf/tree/master/test/gmc_cooling) test, which runs an idealized giant molecular cloud with the microphysics enabled by `COOLING` for a set time, and compares the resulting density vs. temperature relation determined by the cooling physics to a reference solution. + diff --git a/test/how_to_run_tests.md b/test/how_to_run_tests.md new file mode 100644 index 000000000..443074353 --- /dev/null +++ b/test/how_to_run_tests.md @@ -0,0 +1,18 @@ +# How to run tests + +## Step 1: install gizmo as a python package + +Run `pip install .` from the gizmo code directory. This will install a python package `gizmo` in your python environment (optional step 0: set up a python virtual environment first if you don't want to mess with your regular environment). + +The `gizmo` package includes the python code in `gizmo/python_src`. In addition to conveniently packaging some of the scripts included in `gizmo/scripts` for convenient use (e.g. `load_from_snapshot`), this package has a submodule `test` that implements various routines for downloading ICs, building gizmo, and running tests. + +## Step 2: specify your build environment in `Makefile.systype` + +If you are not working in an environment that works with the default build environment, uncomment the build environment you normally use in `Makefile.systype`, e.g. `SYSTYPE=MacBookCellar` should work for a typical macbook environment with openmpi, hdf5, and gsl installed with homebrew. + +## Step 3: run pytest + +Run `pytest` or `python -m pytest` from the gizmo source code directory. This will run all tests found in the subdirectories of `gizmo/test` and let you know which tests have passed or failed. Optionally, you can pass a pattern to pytest to the test subdirectories you want to run, e.g. `pytest test/my_test_name*`. + +## Step 4: Interpret the results +A test can fail for several reasons: failure to build `GIZMO` for the provided `Config.sh` flags, failure to run `GIZMO` due to a runtime error, or a failure of the code output to pass the actual test. A failure to build GIZMO will raise an explicit error and may be accompanied with compiler messages hinting at the problem. while a failure to pass the test on the output will result in a pytest failure. Runtime failures may be diagnosed by examining `GIZMO`'s standard output files: `test_my_test_name.out` and `test_my_test_name.err`. The actual simulation output director for the test may be found in `test/my_test_name/output` for direct inspection. Optionally, the test may generate informative diagnostic plots that should be written to `test/my_test_name`. \ No newline at end of file From 09bbf262828f625c62bf77981e5ec0542712c002 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 16 Mar 2026 13:39:09 -0400 Subject: [PATCH 47/90] example in test implementation --- test/gmc_cooling/test_gmc_cooling.py | 8 ++- test/how_to_add_new_tests.md | 77 +++++++++++++++++++++++++++- 2 files changed, 82 insertions(+), 3 deletions(-) diff --git a/test/gmc_cooling/test_gmc_cooling.py b/test/gmc_cooling/test_gmc_cooling.py index f79c7405f..f45b4c37c 100644 --- a/test/gmc_cooling/test_gmc_cooling.py +++ b/test/gmc_cooling/test_gmc_cooling.py @@ -11,6 +11,8 @@ def compute_test_statistic(f, save_reference_solution=False, plot=False): """Returns the test statistic to be compared with the reference solution. Optionally, saves the input snapshot data as the reference solution.""" + + # get data required to plot n_H vs. T with h5py.File(f, "r") as F: Z = F["PartType0/Metallicity"][:] XH = 1 - F["PartType0/Metallicity"][:, 0] - F["PartType0/Metallicity"][:, 1] @@ -20,12 +22,13 @@ def compute_test_statistic(f, save_reference_solution=False, plot=False): T = F["PartType0/Temperature"][:] if save_reference_solution: + # this option will save the current test solution as the reference solution with h5py.File("gmc_cooling_exact.hdf5", "w") as F: F.create_dataset("PartType0/Metallicity", data=Z) F.create_dataset("PartType0/Density", data=rho) F.create_dataset("PartType0/Temperature", data=T) - if plot: + if plot: # generate a plot of n_H vs T for the test and benchmark solutions plt.loglog(nH, T, ".", markersize=1, color="black", label="Test") with h5py.File("gmc_cooling_exact.hdf5", "r") as F: nH_ref = F["PartType0/Density"][:] * rho_to_nH @@ -37,7 +40,10 @@ def compute_test_statistic(f, save_reference_solution=False, plot=False): plt.savefig("test/gmc_cooling/nH_vs_T.png", bbox_inches="tight") plt.close() + # set logarithmic bins for n_H in which to measure the median temperature nH_bins = np.logspace(1, 3, 10) + + # return nH-binned median temperature return binned_statistic(nH, T, "median", nH_bins)[0] diff --git a/test/how_to_add_new_tests.md b/test/how_to_add_new_tests.md index 4fbe1b04a..9bac05fc4 100644 --- a/test/how_to_add_new_tests.md +++ b/test/how_to_add_new_tests.md @@ -12,13 +12,86 @@ Every test has: 5. The parameters file of runtime parameters passed to GIZMO: `gizmo/test/my_test_name/my_test_name.params`. 6. The python source file containing the actual implementation of the pytest test: `gizmo/test/my_test_name/my_test_name.py`. See [Test implementation](#test-implementation) for what this should look like. 7. The test readme `gizmo/test/my_test_name/README.md` that contains a description of the test. -8. **OPTIONAL**: A reference plaintext and/or HDF5 data file containing data describing the exact or benchmark solution, named `my_test_name_exact.txt` and/or `my_test_name_exact.hdf5`. These should live in the same place as the IC file, and will be downloaded on-the-fly whent he +8. **OPTIONAL**: A reference plaintext and/or HDF5 data file containing data describing the exact or benchmark solution, named `my_test_name_exact.txt` and/or `my_test_name_exact.hdf5`. These should live in the same place as the IC file, and will be downloaded on-the-fly when the test is run. ## Test implementation The actual pass/fail logic of your test should be implemented in a function `test_my_test_name()` in `gizmo/test/my_test_name/my_test_name.py`. This will generally vary from test to test, but the basic idea is to run the simulation, and have some test statistic that you compute from its output to compare with a reference value. This comparison is done via `assert` statement(s) in the `test_my_test_name()` routine. The function may also be responsible for downloading any other special files needed to run GIZMO or perform the test. -### Example: gmc_cooling +### Example: `gmc_cooling` This is the implementation of the [gmc_cooling](https://github.com/mikegrudic/gizmo_imf/tree/master/test/gmc_cooling) test, which runs an idealized giant molecular cloud with the microphysics enabled by `COOLING` for a set time, and compares the resulting density vs. temperature relation determined by the cooling physics to a reference solution. +```python +"""GMC cooling and chemistry test""" + +from gizmo.test import build_and_run_test, get_cooling_tables +from os import path +from matplotlib import pyplot as plt +import h5py +from astropy import units as u, constants as c +from scipy.stats import binned_statistic +import numpy as np + + +def compute_test_statistic(f, save_reference_solution=False, plot=False): + """Returns the test statistic to be compared with the reference solution. Optionally, saves the input snapshot data as the reference solution.""" + + # get data required to plot n_H vs. T + with h5py.File(f, "r") as F: + Z = F["PartType0/Metallicity"][:] + XH = 1 - F["PartType0/Metallicity"][:, 0] - F["PartType0/Metallicity"][:, 1] + rho_to_nH = XH * (u.Msun / u.pc**3).to(c.m_p / u.cm**3) + rho = F["PartType0/Density"][:] + nH = F["PartType0/Density"][:] * rho_to_nH + T = F["PartType0/Temperature"][:] + + if save_reference_solution: + # this option will save the current test solution as the reference solution + with h5py.File("gmc_cooling_exact.hdf5", "w") as F: + F.create_dataset("PartType0/Metallicity", data=Z) + F.create_dataset("PartType0/Density", data=rho) + F.create_dataset("PartType0/Temperature", data=T) + + if plot: # generate a plot of n_H vs T for the test and benchmark solutions + plt.loglog(nH, T, ".", markersize=1, color="black", label="Test") + with h5py.File("gmc_cooling_exact.hdf5", "r") as F: + nH_ref = F["PartType0/Density"][:] * rho_to_nH + T_ref = F["PartType0/Temperature"][:] + plt.loglog(nH_ref, T_ref, ".", markersize=1, color="red", label="Benchmark") + plt.xlabel(r"$n_{\rm H}\,\rm\left(\rm cm^{-3}\right)$") + plt.ylabel(r"$T (\rm K)$") + plt.legend(loc=3) + plt.savefig("test/gmc_cooling/nH_vs_T.png", bbox_inches="tight") + plt.close() + + # set logarithmic bins for n_H in which to measure the median temperature + nH_bins = np.logspace(1, 3, 10) + + # return nH-binned median temperature + return binned_statistic(nH, T, "median", nH_bins)[0] + + +def test_gmc_cooling(): + # specify the test name + test_name = "gmc_cooling" + + # download necessary cooling tables (needed for tests with COOLING flag) + get_cooling_tables() + + # build GIZMO and run the test + build_and_run_test(test_name) + + # Check that the specific required output file exists: + if not path.isfile("test/gmc_cooling/output/snapshot_010.hdf5"): + raise (RuntimeError("GIZMO did not run successfully.")) + + # Compute a test statistic from the output + test_stats = compute_test_statistic("test/gmc_cooling/output/snapshot_010.hdf5", plot=True) + + # compute that same test statistic from a benchmark snapshot + benchmark_stats = compute_test_statistic("gmc_cooling_exact.hdf5") + + # check that the test and benchmark agree within 10% + assert np.all(np.isclose(test_stats, benchmark_stats, rtol=0.1)) +``` \ No newline at end of file From 84112c2fc84d79a01e52a5ef548e6ba3efdcca30 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 16 Mar 2026 13:42:25 -0400 Subject: [PATCH 48/90] test readme --- test/README.md | 5 +++++ test/how_to_run_tests.md | 2 +- 2 files changed, 6 insertions(+), 1 deletion(-) create mode 100644 test/README.md diff --git a/test/README.md b/test/README.md new file mode 100644 index 000000000..8a1b88619 --- /dev/null +++ b/test/README.md @@ -0,0 +1,5 @@ +# Welcome to `GIZMO`'s test module! + +[How to run and interpret tests](how_to_run_tests.md) + +[How to add new tests](how_to_add_new_tests.md) \ No newline at end of file diff --git a/test/how_to_run_tests.md b/test/how_to_run_tests.md index 443074353..24f5bbc07 100644 --- a/test/how_to_run_tests.md +++ b/test/how_to_run_tests.md @@ -1,4 +1,4 @@ -# How to run tests +# How to run and interpret tests ## Step 1: install gizmo as a python package From e405f0a92bfa89dca7e4bfc89620c89f4f268de2 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 16 Mar 2026 14:00:37 -0400 Subject: [PATCH 49/90] typos in test docs --- test/how_to_run_tests.md | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/test/how_to_run_tests.md b/test/how_to_run_tests.md index 24f5bbc07..603082848 100644 --- a/test/how_to_run_tests.md +++ b/test/how_to_run_tests.md @@ -15,4 +15,6 @@ If you are not working in an environment that works with the default build envir Run `pytest` or `python -m pytest` from the gizmo source code directory. This will run all tests found in the subdirectories of `gizmo/test` and let you know which tests have passed or failed. Optionally, you can pass a pattern to pytest to the test subdirectories you want to run, e.g. `pytest test/my_test_name*`. ## Step 4: Interpret the results -A test can fail for several reasons: failure to build `GIZMO` for the provided `Config.sh` flags, failure to run `GIZMO` due to a runtime error, or a failure of the code output to pass the actual test. A failure to build GIZMO will raise an explicit error and may be accompanied with compiler messages hinting at the problem. while a failure to pass the test on the output will result in a pytest failure. Runtime failures may be diagnosed by examining `GIZMO`'s standard output files: `test_my_test_name.out` and `test_my_test_name.err`. The actual simulation output director for the test may be found in `test/my_test_name/output` for direct inspection. Optionally, the test may generate informative diagnostic plots that should be written to `test/my_test_name`. \ No newline at end of file +A test can fail for several reasons: failure to build `GIZMO` for the provided `Config.sh` flags, failure to run `GIZMO` due to a runtime error, or a failure of the code output to pass the actual test. A failure to build GIZMO will raise an explicit error and may be accompanied with compiler messages hinting at the problem. A failure to pass the test on the output will result in a pytest failure. Runtime failures may be diagnosed by examining `GIZMO`'s standard output files: `test_my_test_name.out` and `test_my_test_name.err`. + +The actual simulation output directory for the test may be found in `test/my_test_name/output` for direct inspection. Optionally, the test may generate informative diagnostic plots that should be written to `test/my_test_name`. \ No newline at end of file From d04602caf6eb53a722dc4da7157872b886552bdf Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 16 Mar 2026 14:02:02 -0400 Subject: [PATCH 50/90] cleanup Makefile.systype --- Makefile.systype | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/Makefile.systype b/Makefile.systype index aada74007..7504ff042 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -13,7 +13,7 @@ #SYSTYPE="Wheeler" #SYSTYPE="CaltechHPC" #SYSTYPE="MacBookPro" -SYSTYPE="MacBookCellar" +#SYSTYPE="MacBookCellar" #SYSTYPE="Quest" #SYSTYPE="Quest-intel" #SYSTYPE="TSCC" @@ -40,7 +40,7 @@ SYSTYPE="MacBookCellar" #SYSTYPE="HLRB2" #SYSTYPE="MPA" #SYSTYPE="VIP" -#SYSTYPE="Ubuntu" +SYSTYPE="Ubuntu" #SYSTYPE="MBM" #SYSTYPE="OpteronMPA-Gnu" #SYSTYPE="OpteronMPA-Intel" From a530828c5fcdceb528c816769bc7a84fba1ae885 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Tue, 17 Mar 2026 15:26:16 -0400 Subject: [PATCH 51/90] sync with gizmo c++ port. includes syncing updated dust opacity table and fixing an undeclared variable error (assuming @pfhopkins meant in cooling.cc - please confirm) --- .github/workflows/pytest.yml | 37 + allvars.h | 4275 ------------------------------- cooling/cooling.cc | 6 +- radiation/rt_utilities.cc | 45 +- test/gmc_cooling/nH_vs_T.png | Bin 67624 -> 66614 bytes test/gmc_cooling_rt/nH_vs_T.png | Bin 62725 -> 66798 bytes 6 files changed, 43 insertions(+), 4320 deletions(-) create mode 100644 .github/workflows/pytest.yml delete mode 100644 allvars.h diff --git a/.github/workflows/pytest.yml b/.github/workflows/pytest.yml new file mode 100644 index 000000000..f69272e50 --- /dev/null +++ b/.github/workflows/pytest.yml @@ -0,0 +1,37 @@ +# This workflow will install Python dependencies, run tests and lint with a variety of Python versions +# For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python + +name: pytest + +on: + [pull_request] + +jobs: + build: + + runs-on: ubuntu-latest + strategy: + fail-fast: false + matrix: + python-version: ["3.13"] + + steps: + - uses: actions/checkout@v4 + - name: Set up Python ${{ matrix.python-version }} + uses: actions/setup-python@v3 + with: + python-version: ${{ matrix.python-version }} + - name: Install dependencies + run: | + python -m pip install --upgrade pip + python -m pip install . + if [ -f requirements.txt ]; then pip install -r requirements.txt; fi + - name: Setup MPI + uses: mpi4py/setup-mpi@v1 + with: + mpi: openmpi + - name: Install libraries + run: sudo apt install libhdf5-openmpi-dev libgsl-dev + - name: Test with pytest + run: | + pytest diff --git a/allvars.h b/allvars.h deleted file mode 100644 index 4f64a5b2c..000000000 --- a/allvars.h +++ /dev/null @@ -1,4275 +0,0 @@ - -/*! \file allvars.h - * \brief declares global variables. - * - * This file declares all global variables. Further variables should be added here, and declared as - * 'extern'. The actual existence of these variables is provided by the file 'allvars.c'. To produce - * 'allvars.c' from 'allvars.h', do the following: - * - * - Erase all #define statements - * - add #include "allvars.h" - * - delete all keywords 'extern' - * - delete all struct definitions enclosed in {...}, e.g. - * "extern struct global_data_all_processes {....} All;" - * becomes "struct global_data_all_processes All;" - */ - -/* - * This file was originally part of the GADGET3 code developed by - * Volker Springel. The code has been modified - * in part by Phil Hopkins (phopkins@caltech.edu) for GIZMO (many new variables, - * structures, and different naming conventions for some old variables) - */ - - -#ifndef ALLVARS_H -#define ALLVARS_H - -#include -#include -#include -#include -#include -#include -#include -#ifdef _OPENMP -#include -#endif - -#include "GIZMO_config.h" -/*------- Things that are always recommended (this must follow loading GIZMO_config.h!) -------*/ -#define GIZMO_VERSION 2022 /*!< code version (should be an int corresponding to the year) */ -#define DOUBLEPRECISION /* using double (not floating-point) precision */ -#define PEANOHILBERT /* sort particles on a Peano-Hilbert curve (huge optimization) */ -#define WALLCLOCK /* track timing of different routines */ -#define MYSORT /* use our custom sort (as opposed to C default, which is compiler-dependent) */ -#define ALLOWEXTRAPARAMS /* don't crash (just warn) if there are extra lines in the input parameterfile */ -#ifndef OUTPUT_ADDITIONAL_RUNINFO -#define IO_REDUCED_MODE -#endif -#ifndef IO_DISABLE_HDF5 -#define HAVE_HDF5 /* default to using HDF5 */ -#include -#endif -#if !defined(OUTPUT_POSITIONS_IN_DOUBLE) && defined(HAVE_HDF5) -#define OUTPUT_POSITIONS_IN_DOUBLE /* recommended to always default to recording positions in double-precision: there's not really a good reason not to do this unless we need to match unformatted binary */ -#endif -#if !defined(LONG_INTEGER_TIME) -#define LONG_INTEGER_TIME /* always recommended: on modern machines the memory overhead cost of this is negligible */ -#endif -//#if !defined(MPISENDRECV_SIZELIMIT) -//#define MPISENDRECV_SIZELIMIT /* define but without an explicit memory value so it uses the buffersize defaults instead */ -//#endif - -#define DO_PREPROCESSOR_EXPAND_(VAL) VAL ## 1 -#define EXPAND_PREPROCESSOR_(VAL) DO_PREPROCESSOR_EXPAND_(VAL) /* checks for a NON-ZERO value of this parameter */ -#define CHECK_IF_PREPROCESSOR_HAS_NUMERICAL_VALUE_(VAL) !(EXPAND_PREPROCESSOR_(VAL) == 1) /* returns True if a non-zero int value of VAL is set */ - -#if !defined(SLOPE_LIMITER_TOLERANCE) -#if defined(AGGRESSIVE_SLOPE_LIMITERS) -#define SLOPE_LIMITER_TOLERANCE 2 -#else -#define SLOPE_LIMITER_TOLERANCE 1 -#endif -#endif - -#ifndef DISABLE_GAS_CELL_WAKEUP -#if (SLOPE_LIMITER_TOLERANCE > 0) -#define WAKEUP 4.1 /* allows 2 timestep bins within kernel */ -#else -#define WAKEUP 2.1 /* allows only 1-separated timestep bins within kernel */ -#endif -#endif - -/* lock the 'default' hydro mode */ -#if !(defined(HYDRO_MESHLESS_FINITE_VOLUME) || defined(HYDRO_MESHLESS_FINITE_MASS) || defined(HYDRO_DENSITY_SPH) || defined(HYDRO_PRESSURE_SPH)) // default solver is not defined -#if (defined(HYDRO_FIX_MESH_MOTION) && (HYDRO_FIX_MESH_MOTION != 7)) || defined(HYDRO_REGULAR_GRID) -#define HYDRO_MESHLESS_FINITE_VOLUME /* only makes sense to use this modules with this 'backbone' of MFV here */ -#else -#define HYDRO_MESHLESS_FINITE_MASS /* otherwise default to MFM if nothing is specified */ -#endif -#endif - -/* define the default mesh-motion assumption, if this is not provided by the user */ -#if !defined(HYDRO_FIX_MESH_MOTION) -#if defined(HYDRO_REGULAR_GRID) -#define HYDRO_FIX_MESH_MOTION 0 /* default to non-moving for regular grids */ -#else -#define HYDRO_FIX_MESH_MOTION 5 /* otherwise default to smoothed motion, only relevant for MFV (MFM/SPH will always move with flow) */ -#endif -#endif - -/* determine whether the mesh is adaptive via splitting/merging (refinement) or 'frozen' to the initial number of elements */ -#if !defined(PREVENT_PARTICLE_MERGE_SPLIT) && (HYDRO_FIX_MESH_MOTION<5) -#define PREVENT_PARTICLE_MERGE_SPLIT /* particle merging/splitting doesn't make sense with frozen grids */ -#endif - -#ifdef PARTICLE_MERGE_SPLIT_EVERY_TIMESTEP -#define MAINTAIN_TREE_IN_REARRANGE -#endif - -#define REDUC_FAC 0.98 /* used to pad memory in domain decomposition structures, should be slightly less than unity */ - -#ifdef PMGRID -#define PM_ENLARGEREGION 1.1 /* enlarges PMGRID region as the simulation evolves */ -/* -# - PM_ENLARGEREGION: The spatial region covered by the high-res zone has a fixed -# size during the simulation, which initially is set to the -# smallest region that encompasses all high-res particles. Normally, the -# simulation will be interrupted, if high-res particles leave this -# region in the course of the run. However, by setting this parameter -# to a value larger than one, the high-res region can be expanded. -# For example, setting it to 1.4 will enlarge its side-length by -# 40% (it remains centered on the high-res particles). Hence, with -# such a setting, the high-res region may expand or move by a -# limited amount. If in addition SYNCHRONIZATION is activated, then -# the code will be able to continue even if high-res particles -# leave the initial high-res grid. In this case, the code will -# update the size and position of the grid that is placed onto -# the high-resolution region automatically. To prevent that this -# potentially happens every single PM step, one should nevertheless -# assign a value slightly larger than 1 to PM_ENLARGEREGION. -*/ -#endif - - - -#if (defined(HYDRO_DENSITY_SPH) || defined(HYDRO_PRESSURE_SPH)) && !defined(HYDRO_SPH) -#define HYDRO_SPH /* top-level flag for SPH: must be enabled if any SPH method is used */ -#endif -#ifdef HYDRO_SPH -#if !defined(SPH_DISABLE_CD10_ARTVISC) && !(defined(EOS_TILLOTSON) || defined(EOS_ELASTIC)) // fancy viscosity switches assume positive pressures // -#define SPHAV_CD10_VISCOSITY_SWITCH 0.05 /* Enables Cullen & Dehnen 2010 'inviscid sph' (viscosity suppression outside shocks) */ -#endif -#ifndef SPH_DISABLE_PM_CONDUCTIVITY -#define SPHAV_ARTIFICIAL_CONDUCTIVITY /* Enables mixing entropy (J.Read's improved Price-Monaghan conductivity with Cullen-Dehnen switches) */ -#endif -#endif - -#ifdef PERIODIC -#define BOX_PERIODIC -#endif -#ifdef BND_PARTICLES -#define BOX_BND_PARTICLES -#endif -#ifdef LONG_X -#define BOX_LONG_X LONG_X -#endif -#ifdef LONG_Y -#define BOX_LONG_Y LONG_Y -#endif -#ifdef LONG_Z -#define BOX_LONG_Z LONG_Z -#endif -#ifdef REFLECT_BND_X -#define BOX_REFLECT_X -#endif -#ifdef REFLECT_BND_Y -#define BOX_REFLECT_Y -#endif -#ifdef REFLECT_BND_Z -#define BOX_REFLECT_Z -#endif -#ifdef SHEARING_BOX -#define BOX_SHEARING SHEARING_BOX -#endif -#ifdef SHEARING_BOX_Q -#define BOX_SHEARING_Q SHEARING_BOX_Q -#endif -#ifdef SHEARING_BOX_QB -#define BOX_SHEARING_QB SHEARING_BOX_QB -#endif -#ifdef ANALYTIC_GRAVITY -#if CHECK_IF_PREPROCESSOR_HAS_NUMERICAL_VALUE_(ANALYTIC_GRAVITY) -#define GRAVITY_ANALYTIC ANALYTIC_GRAVITY -#else -#define GRAVITY_ANALYTIC -#endif -#endif -#ifdef NOGRAVITY -#define SELFGRAVITY_OFF -#endif - - -#if defined(EOS_ELASTIC) -#if !defined(DISABLE_SURFACE_VOLCORR) && !defined(HYDRO_KERNEL_SURFACE_VOLCORR) -#define HYDRO_KERNEL_SURFACE_VOLCORR -#endif -#if !defined(DISABLE_EXPLICIT_VOLUME_INTEGRATION) && !defined(HYDRO_EXPLICITLY_INTEGRATE_VOLUME) -#define HYDRO_EXPLICITLY_INTEGRATE_VOLUME -#endif -#endif - - - -#include "eos/eos.h" - - -#if defined(CBE_INTEGRATOR) || defined(DM_FUZZY) -#define AGS_FACE_CALCULATION_IS_ACTIVE -#endif - -#if defined(CBE_INTEGRATOR) -#define CBE_INTEGRATOR_NBASIS CBE_INTEGRATOR -#ifdef CBE_INTEGRATOR_SECONDMOMENT -#if (BOX_SPATIAL_DIMENSION==1) || defined(ONEDIM) -#define CBE_INTEGRATOR_NMOMENTS 3 /* [0-norm,1-mom,1-second] */ -#elif (BOX_SPATIAL_DIMENSION==2) || defined(TWODIMS) -#define CBE_INTEGRATOR_NMOMENTS 6 /* [0-norm,2-mom,3-symm-tensor] */ -#else -#define CBE_INTEGRATOR_NMOMENTS 10 /* 10 non-trivial moments [0th/norm, 3-mom, 6-symm-tensor] */ -#endif -#else -#define CBE_INTEGRATOR_NMOMENTS ((BOX_SPATIAL_DIMENSION)+1) -#endif -#endif - -#if defined(GRAIN_COLLISIONS) -#define DM_SIDM 8 /* use the SIDM module to handle scattering of otherwise-collisionless particles against each other -- set to Particle Type=3 here */ -#endif -#if defined(PIC_MHD) -#define PIC_MHD_NEW_RSOL_METHOD /* prefer new method for dealing with RSOL, should make simulations easier if done correctly */ -#ifdef GRAIN_FLUID -#define GRAIN_FLUID_AND_PIC_BOTH_DEFINED /* keyword used later to know what we need to read in */ -#else -#define GRAIN_FLUID -#endif -#ifndef GRAIN_LORENTZFORCE -#define GRAIN_LORENTZFORCE -#endif -#ifndef GRAIN_BACKREACTION -#define GRAIN_BACKREACTION -#endif -#endif - -#if defined(ADAPTIVE_GRAVSOFT_FORALL) || defined(CBE_INTEGRATOR) || defined(DM_FUZZY) || defined(AGS_FACE_CALCULATION_IS_ACTIVE) || defined(DM_SIDM) -#define AGS_HSML_CALCULATION_IS_ACTIVE -#endif - -#if defined(ADAPTIVE_GRAVSOFT_FORALL) -#define ADAPTIVE_GRAVSOFT_SYMMETRIZE_FORCE_BY_AVERAGING /* comment out to revert to behavior of taking 'greater' softening in pairwise kernel interactions with adaptive softenings enabled. really only needed currently for this particular AGS model given how it computes zeta terms (could be made optional with one more loop for those as well) */ -#endif - - -#ifdef FIRE_PHYSICS_DEFAULTS - -#if !(CHECK_IF_PREPROCESSOR_HAS_NUMERICAL_VALUE_(FIRE_PHYSICS_DEFAULTS)) /* no numerical value is set, so set one as our 'default' */ -#undef FIRE_PHYSICS_DEFAULTS -#define FIRE_PHYSICS_DEFAULTS 2 /*! defaults currently to FIRE-2 baseline */ -#endif - -#define COOLING /*! top-level switch for cooling */ -#define COOL_LOW_TEMPERATURES /*! include low-temperature (<1e4 K) cooling */ -#define COOL_METAL_LINES_BY_SPECIES /*! include high-temperature metal-line cooling, species-by-species */ -#define GALSF /*! top-level switch for star formation */ -#define METALS /*! follow metals as passive scalars, use in cooling, etc */ -#define TURB_DIFF_METALS /*! explicit sub-grid diffusivity for metals/passive scalars */ -#define TURB_DIFF_METALS_LOWORDER /*! memory-saving custom mod */ -#define STOP_WHEN_BELOW_MINTIMESTEP /*! this is general good practice */ -#if !defined(MULTIPLEDOMAINS) -#define MULTIPLEDOMAINS 32 /*! slightly closer to our usual default, but users should feel free to adjust */ -#endif - -#define GALSF_SFR_MOLECULAR_CRITERION /*! molecular criterion for star formation */ -#if !defined(GALSF_SFR_VIRIAL_SF_CRITERION) -#define GALSF_SFR_VIRIAL_SF_CRITERION 0 /*! sink-particle like self-gravity requirement for star formation: original implementation */ -#endif -#define GALSF_FB_MECHANICAL /*! top-level switch for mechanical feedback modules */ -#define GALSF_FB_FIRE_STELLAREVOLUTION (FIRE_PHYSICS_DEFAULTS) /*! turns on default FIRE processes+lookup tables including gas return, SNe, R-process, etc. this carries a number matching the defaults set you choose */ -#define GALSF_FB_FIRE_RT_HIIHEATING /*! gas within HII regions around young stars is photo-heated to 10^4 K - local stromgren approximation */ -#define GALSF_FB_FIRE_RT_LOCALRP /*! turn on local radiation pressure coupling to gas - account for local multiple-scattering and isotropic local absorption */ -#define GALSF_FB_FIRE_RT_LONGRANGE /*! continuous acceleration from starlight (uses luminosity tree) to propagate FIRE RT */ -#define GALSF_FB_FIRE_RT_UVHEATING /*! use estimate of local spectral information from FIRE RT for photoionization and photoelectric heating */ -//#define GALSF_FB_FIRE_RPROCESS 4 /*! tracks a set of 'dummy' species from neutron-star mergers (set to number: 4=extended model) */ -#define GALSF_FB_FIRE_AGE_TRACERS 16 /*! tracks a set of passive scalars corresponding to stellar ages for chemical evolution model postprocessing */ -//#define GALSF_SFR_IMF_VARIATION /*! track [do not change] properties of gas from which stars form, for IMF models in post-processing */ -#define PROTECT_FROZEN_FIRE /*! protect code so FIRE runs are not modified by various code updates, etc -- default FIRE-2 code locked */ - -#if !(defined(ADAPTIVE_GRAVSOFT_FORGAS) || defined(ADAPTIVE_GRAVSOFT_FORALL)) -#define ADAPTIVE_GRAVSOFT_FORGAS /*! default choice is adaptive force softening for gas, but not stars [since ambiguously defined] */ -#endif -#if !defined(OUTPUT_POSITIONS_IN_DOUBLE) -#define OUTPUT_POSITIONS_IN_DOUBLE /*! need to output positions in double, otherwise get some real problems */ -#endif - -#if CHECK_IF_PREPROCESSOR_HAS_NUMERICAL_VALUE_(FIRE_PHYSICS_DEFAULTS) /* check if a numerical value is set */ -#if (FIRE_PHYSICS_DEFAULTS == 1) -#define FIRE1_SNE_COUPLING /* reverts to old mass-scalar-weight, 1-way-search, non-tensor-renormalized SNe model */ -#define EOS_TRUELOVE_PRESSURE /* uses effective EOS for gas near resolution limit */ -#undef GALSF_SFR_VIRIAL_SF_CRITERION /* can't be used reliably with effective EOS, will give bogus results */ -#endif -#if (FIRE_PHYSICS_DEFAULTS == 2) -// currently uses default settings above, but keep this here for future use // -#endif -#if (FIRE_PHYSICS_DEFAULTS == 3) -#define COOL_UVB_SELFSHIELD_RAHMATI -#define COOL_MOLECFRAC_NONEQM -#define OUTPUT_MOLECULAR_FRACTION -#define OUTPUT_COOLRATE -#define RT_USE_GRAVTREE_SAVE_RAD_FLUX -#ifdef IO_REDUCED_MODE -#undef IO_REDUCED_MODE /* generally output additional runinfo */ -#endif -//#define OUTPUT_DENS_AROUND_STAR -//#define OUTPUT_DELAY_TIME_HII -#define OUTPUT_POTENTIAL -#undef PROTECT_FROZEN_FIRE /* undefine protections to test new code */ -#undef GALSF_SFR_VIRIAL_SF_CRITERION -#undef GALSF_SFR_MOLECULAR_CRITERION -#if !defined(GALSF_SFR_CRITERION) -#define GALSF_SFR_CRITERION (0+1+2+64) // 0=density threshold, 1=virial criterion (strict), 2=convergent flow, 4=local extremum, 8=no sink in kernel, 16=not falling into sink, 32=hill (tidal) criterion, 64=Jeans criterion, 128=converging flow along all principle axes, 256=self-shielding/molecular, 512=multi-free-fall (smooth dependence on virial), 1024='catch' for un-resolvable densities -#endif -//#if defined(FIRE_BHS) -//#define BH_EXCISION_NONGAS -//#define BH_SCALE_SPAWNINGMASS_WITH_INITIALMASS // testing for now but will probably promote to default status: automatically scale BH spawn mass to fixed fraction of initial cell mass of the thing that forms it -//#define BH_EXCISION_GAS -//#define BH_DYNFRICTION_FROMTREE -//#endif -#define ADAPTIVE_GRAVSOFT_MAX_SOFT_HARD_LIMIT (0.1/UNIT_LENGTH_IN_KPC) -#endif // defaults = 3 -#endif // closes CHECK_IF_PREPROCESSOR_HAS_NUMERICAL_VALUE_ check - -#if defined(FIRE_MODULE_TESTS) // currently convenience-only for pure testing by PFH -#define GALSF_SFR_IMF_SAMPLING /* use the IMF-sampling discrete number of O-star scheme, no penalty at low mass-res */ -#define GALSF_FB_FIRE_PROTOSTELLARJETS /* use jet feedback per mike grudic's simple parameterization; zero cost, easy to add, not big large-scale effects */ -#define GALSF_SFR_IMF_SAMPLING_DISTRIBUTE_SF (2.0) /* spread SF over a couple free-fall times when a cell becomes a star, as compared to doing it instantly when the probability roll comes up */ -#define FIRE_SNE_ENERGY_METAL_DEPENDENCE_EXPERIMENT (1) /* ramp the SNe rate and massive stellar feedback fraction of total mass (essentially L/M) at low metallicities, leaves no dwarf stars below [Z/H]<-7 or so ramping down to -5 */ -#if !defined(ADAPTIVE_GRAVSOFT_FROM_TIDAL_CRITERION) -#define ADAPTIVE_GRAVSOFT_FROM_TIDAL_CRITERION (2) /* use tidal softening for dark matter, where its well-defined, more accurate subhalo/center/caustic evolution, minimal cost */ -#endif -#if defined(FIRE_MHD) && !defined(MHD_CONSTRAINED_GRADIENT) -//#define MHD_CONSTRAINED_GRADIENT (1) /* use CG-mhd in newer runs, more accurate, minimal cost; but do need to check stability */ -#endif -#if defined(FIRE_BHS) -#define BH_SCALE_SPAWNINGMASS_WITH_INITIALMASS /* purely a convention-choice when doing spawning, to use fraction of original BH mass -- this one more useful if using multi-resolution (hyper-refinement) techniques */ -#define MAINTAIN_TREE_IN_REARRANGE /* optimization when using cell-spawning */ -#define BH_DYNFRICTION_FROMTREE /* use the dynamical friction model instead of pinning/forcing BHs to potential minimum */ -#endif -/* more aggressive module experiments here, only enabled if this module is active and set to a numerical value >= 3 */ -#if CHECK_IF_PREPROCESSOR_HAS_NUMERICAL_VALUE_(FIRE_MODULE_TESTS) -#if (FIRE_MODULE_TESTS >= 3) /* more aggressive module experiments here */ -#define GALSF_MERGER_STARCLUSTER_PARTICLES /* merge bound star clusters together into super-star-clusters. works, but bit more experimental, could in principle eat too much, so needs some testing */ -#if defined(FIRE_BHS) -#define BH_EXCISION_NONGAS /* merge over-bound particles into BH [non-gas]. works but could be over-aggressive in some cases, needs bit more testing */ -#define BH_EXCISION_GAS /* merge over-bound particles into BH [gas]. works but could be over-aggressive in some cases, needs bit more testing */ -#endif -#endif -#endif -#endif - -#if defined(FIRE_MHD) -#define MAGNETIC /* top-level flag */ -#define MHD_B_SET_IN_PARAMS /* B-field must be set in ICs */ -#define CONDUCTION /* enable conduction */ -#define CONDUCTION_SPITZER /* compute proper coefficients and anisotropy for conduction */ -#define VISCOSITY /* enable viscosity */ -#define VISCOSITY_BRAGINSKII /* compute proper coefficients and anisotropy for viscosity */ -//#define DIFFUSION_OPTIMIZERS /* custom fire-related optimizations for timestepping */ -#endif // FIRE_MHD - -#if defined(FIRE_CRS) -#if (FIRE_CRS == -2) -#define COSMIC_RAY_SUBGRID_LEBRON /*! this simply uses the sub-grid model */ -#else /* use 'explicit' CR integration in one of the code formulations */ -#define COSMIC_RAY_FLUID /*! top-level flag */ -#if (FIRE_CRS >= 0) && !defined(CRFLUID_EVOLVE_SPECTRUM) /* enable multi-spectrum CRs if this set and FIRE version high enough */ -#if (FIRE_CRS >= 2) -#define CRFLUID_EVOLVE_SPECTRUM 2 /*! evolve full set of 10 different CR species */ -#else -#define CRFLUID_EVOLVE_SPECTRUM 1 /*! evolve proton + electron spectrum by default */ -#endif -#endif -#if (FIRE_CRS <= 0) -#if !defined(CRFLUID_M1) -#define CRFLUID_M1 (500.) /*! maximum CR transport speed: 500 safe for our default diffusivities in constant-kappa model */ -#endif -#if !defined(CRFLUID_DIFFUSION_MODEL) -#define CRFLUID_ION_ALFVEN_SPEED /*! default to use use appropriate ion Alfven speed */ -#define CRFLUID_DIFFUSION_MODEL 0 /*! constant diffusivity (set by params file) */ -#else -#if (CRFLUID_DIFFUSION_MODEL > 0) -#define CRFLUID_ION_ALFVEN_SPEED /*! default to use use appropriate ion Alfven speed */ -#endif -#endif -#else -#if !defined(CRFLUID_M1) -#define CRFLUID_M1 (1000.) /*! maximum CR transport speed: 1000 safe for our default diffusivities in variable-kappa model */ -#endif -#if !defined(CRFLUID_DIFFUSION_MODEL) -#define CRFLUID_DIFFUSION_MODEL 6 /*! best-guess for variable-kappa model, combining updated SC+ET */ -#endif -#define CRFLUID_ION_ALFVEN_SPEED /*! use appropriate ion Alfven speed */ -#if !defined(CRFLUID_SET_SC_MODEL) && (CRFLUID_DIFFUSION_MODEL > 0) -#define CRFLUID_SET_SC_MODEL (7) /*! set mode for SC model using best-estimate of fQLT and fCAS, and best model for extrinsic driving of CRs */ -#endif -#if !defined(CRFLUID_SET_ET_MODEL) && (CRFLUID_DIFFUSION_MODEL > 0) -#define CRFLUID_SET_ET_MODEL (-1) /*! set mode for ET model using best-estimate of fturb from Alfven-wave scattering */ -#endif -#endif -#endif -#define DIFFUSION_OPTIMIZERS /* custom fire-related optimizations for timestepping */ -#endif // FIRE_CRS - -#if defined(FIRE_BHS) -#define BLACK_HOLES /* top-level flag */ -#define BH_SEED_FROM_LOCALGAS /* seed BHs locally in SF-ing gas */ -#define BH_SEED_FROM_LOCALGAS_TOTALMENCCRITERIA /* use the total surface-density criterion, not just gas */ -#define BH_CALC_DISTANCES /* use this for various checks, particularly in seeding */ -#if defined(GALSF_SFR_IMF_SAMPLING) && !defined(BH_REPOSITION_ON_POTMIN) && !defined(BH_DYNFRICTION_FROMTREE) -#define BH_DYNFRICTION_FROMTREE /* use this module as a default in sufficiently high-resolution simulations*/ -#endif -#if !defined(BH_REPOSITION_ON_POTMIN) && !defined(BH_DYNFRICTION_FROMTREE) && !defined(BH_DYNFRICTION) -#define BH_REPOSITION_ON_POTMIN 2 /* anchor BHs to centers smoothly */ -#endif -#define BH_SWALLOWGAS /* allow BHs to accrete in principle */ -#if !defined(BH_GRAVACCRETION) -#define BH_GRAVACCRETION 1 /* accrete following our standard gravitational torques model */ -#define BH_GRAVACCRETION_STELLARFBCORR /* account for additional acceleration-dependent retention from stellar FB in Mdot */ -#endif -#if !defined(BH_ALPHADISK_ACCRETION) -#define BH_ALPHADISK_ACCRETION (10.) /* smooth out accretion + allow super-eddington capture with alpha-disk model */ -#endif -#define BH_PHOTONMOMENTUM /* allow AGN radiation pressure */ -#define BH_COMPTON_HEATING /* allow Compton heating from AGN spectrum */ -#define BH_HII_HEATING /* allow photo-ionization heating from AGN spectrum */ -#define BH_FB_COLLIMATED /* BHFB directed along collimated axis following BH ang. mom */ -#if !defined(BH_WIND_CONTINUOUS) -#define BH_WIND_SPAWN (2) /* spawn module: N=min num spawned/step */ -#endif -#if defined(COSMIC_RAY_FLUID) || defined(COSMIC_RAY_SUBGRID_LEBRON) -#define BH_COSMIC_RAYS /* allow CR injection from AGN */ -#endif -#endif // FIRE_BHS - -#if defined(PMGRID) -#if !defined(PM_PLACEHIGHRESREGION) -#if (FIRE_PHYSICS_DEFAULTS == 3) -#define PM_PLACEHIGHRESREGION 2 /* 2 -- if we want to have potentially resolved hyper-velocity stars/bhs/cells, need to avoid them restructuring the PMGRID completely */ -#else -#if defined(BLACK_HOLES) -#define PM_PLACEHIGHRESREGION 51 /* 1+2+16+32 */ -#else -#define PM_PLACEHIGHRESREGION 19 /* 1+2+16 */ -#endif -#endif -#endif -#if !defined(PM_HIRES_REGION_CLIPPING) -//#define PM_HIRES_REGION_CLIPPING 3000 /* just a safety factor here */ -#endif -#endif // PMGRID check - -#else -#endif // FIRE_PHYSICS_DEFAULTS clauses - - - - -#ifdef PROTECT_FROZEN_FIRE -#define GALSF_USE_SNE_ONELOOP_SCHEME // set to use the 'base' FIRE-2 SNe coupling. if commented out, will user newer version that more accurately manages the injected energy with neighbors moving to inject a specific target -#endif - -#ifdef GALSF_SFR_CRITERION // flag for pure cross-compatibility [identical functionality, just ease-of-use for galaxy simulators here] -#define SINGLE_STAR_SINK_FORMATION GALSF_SFR_CRITERION -#endif - -#ifdef COSMIC_RAY_FLUID -#if !defined(CRFLUID_EVOLVE_SPECTRUM) -#define GAMMA_COSMICRAY(k) (4.0/3.0) -#endif -#ifndef CRFLUID_DIFFUSION_MODEL -#define CRFLUID_DIFFUSION_MODEL 0 -#endif -#if defined(CRFLUID_EVOLVE_SPECTRUM) -#define GAMMA_COSMICRAY(k) ((4.0+gamma_eos_of_crs_in_bin(k))/3.0) -#if !defined(CRFLUID_DIFFUSION_CORRECTION_TERMS) && !defined(CRFLUID_BINCENTERED_TRANSPORT) -#define CRFLUID_DIFFUSION_CORRECTION_TERMS -#endif -#if (CRFLUID_EVOLVE_SPECTRUM == 2) -#define N_CR_PARTICLE_BINS 70 /* */ -#define N_CR_PARTICLE_SPECIES 8 /* */ -#define N_CR_PARTICLE_SPECIES 2 /* 2) && !defined(CRFLUID_EVOLVE_SPECTRUM) -#define CRFLUID_EVOLVE_SPECTRUM -#endif -#endif - -#ifdef COSMIC_RAY_SUBGRID_LEBRON -#define N_CR_PARTICLE_BINS 1 -#endif - - -#if defined(COOL_GRACKLE) -#if !defined(COOLING) -#define COOLING -#endif -#include -#endif - -#ifdef CHIMES -#include "./cooling/chimes/chimes_proto.h" -extern struct gasVariables *ChimesGasVars; -extern struct globalVariables ChimesGlobalVars; -extern char ChimesDataPath[256]; -extern char ChimesEqAbundanceTable[196]; -extern char ChimesPhotoIonTable[196]; -extern double chimes_rad_field_norm_factor; -extern double shielding_length_factor; -extern double cr_rate; -extern int ChimesEqmMode; -extern int ChimesUVBMode; -extern int ChimesInitIonState; -extern int Chimes_incl_full_output; -extern int N_chimes_full_output_freq; -#ifdef CHIMES_HII_REGIONS -#ifndef GALSF_FB_FIRE_RT_HIIHEATING -#define GALSF_FB_FIRE_RT_HIIHEATING // must be on, this module uses the same code -#endif -#endif -#ifdef CHIMES_STELLAR_FLUXES -// The following defines the stellar age bins that we will use to define the UV spectra from stars used in CHIMES. -#define CHIMES_LOCAL_UV_NBINS 8 -#define CHIMES_LOCAL_UV_AGE_LOW 0.0 -#define CHIMES_LOCAL_UV_DELTA_AGE_LOW 0.2 -#define CHIMES_LOCAL_UV_AGE_MID 1.0 -#define CHIMES_LOCAL_UV_DELTA_AGE_HI 1.0 -#endif -#ifdef CHIMES_METAL_DEPLETION -#define DEPL_N_ELEM 17 -struct Chimes_depletion_data_structure -{ - double SolarAbund[DEPL_N_ELEM]; - double DeplPars[DEPL_N_ELEM][3]; - double DustToGasSaturated; - double ChimesDepletionFactors[7]; - double ChimesDustRatio; -}; -extern struct Chimes_depletion_data_structure *ChimesDepletionData; -#endif // CHIMES_METAL_DEPLETION -#endif // CHIMES - - - - -#if defined(SINGLE_STAR_AND_SSP_HYBRID_MODEL_DEFAULTS) /* options for hybrid/combined FIRE+STARFORGE simulations */ -#define SINGLE_STAR_STARFORGE_DEFAULTS /* parent flag enabling the STARFORGE modules, which themselves enable the FIRE modules */ -#define SINGLE_STAR_AND_SSP_HYBRID_MODEL (SINGLE_STAR_AND_SSP_HYBRID_MODEL_DEFAULTS) /* do single-star routines below this mass resolution in solar, FIRE-like above */ -#define GALSF_SFR_IMF_SAMPLING /* use discrete sampling of 'number of O-stars' so we can handle the intermediate-mass regime in at least a simple approximate manner */ -#define COOLING /* only physical if include cooling for both sides, using same cooling functions */ -#define MAGNETIC /* enable MHD, important for systems here */ -#define CONDUCTION /* enable conduction */ -#define CONDUCTION_SPITZER /* compute proper coefficients and anisotropy for conduction */ -#define VISCOSITY /* enable viscosity */ -#define VISCOSITY_BRAGINSKII /* compute proper coefficients and anisotropy for viscosity */ -#define SINGLE_STAR_FB_JETS /* enable jets from protostars */ -#define SINGLE_STAR_FB_WINDS 0 /* enable continuous mass-loss feedback - will also enable ssp mass-loss */ -#define SINGLE_STAR_FB_SNE /* enable SNe feedback - will also enable ssp mechanical feedback */ -#define SINGLE_STAR_FB_RAD /* enable RHD feedback */ -#define RT_COMOVING /* significantly more stable and accurate formulation given the structure of the problem and method we use */ -#define RT_SOURCES (16+32) /* need to allow -both- ssp-particles and single-star particles to emit */ -#if !defined(RT_SPEEDOFLIGHT_REDUCTION) -#define RT_SPEEDOFLIGHT_REDUCTION (0.1) /* for many problems on these scales, need much larger RSOL than default starforge values (dynamical velocities are big, without this they will severely lag behind) */ -#endif -#define ADAPTIVE_TREEFORCE_UPDATE (0.0625) /* rough typical value we use for ensuring stability */ -#if defined(FIRE_SUPERLAGRANGIAN_JEANS_REFINEMENT) || defined(SINGLE_STAR_AND_SSP_NUCLEAR_ZOOM) -#define OUTPUT_ACCELERATION -#define OUTPUT_HYDROACCELERATION -#define OUTPUT_MOLECULAR_FRACTION -#define OUTPUT_TEMPERATURE -#define OUTPUT_ADDITIONAL_RUNINFO -#endif -#ifdef SINGLE_STAR_AND_SSP_NUCLEAR_ZOOM -#define PARTICLE_EXCISION -#define OUTPUT_GRADIENT_RHO -#define OUTPUT_GRADIENT_VEL -#define OUTPUT_RT_RAD_FLUX -#define OUTPUT_RT_RAD_OPACITY -#define RT_RAD_PRESSURE_OUTPUT -#ifdef SINGLE_STAR_AND_SSP_NUCLEAR_ZOOM_SPECIALBOUNDARIES -#define GRAVITY_ANALYTIC -#endif -#endif -#endif // closes hybrid FIRE+STARFORGE model settings - - - - - -#ifdef SINGLE_STAR_STARFORGE_DEFAULTS /* bunch of options -NOT- strictly required here, but this is a temporary convenience block */ -#define LONGIDS -#define OUTPUT_POSITIONS_IN_DOUBLE -#define INPUT_POSITIONS_IN_DOUBLE -#define OUTPUT_POTENTIAL -#ifndef SINGLE_STAR_AND_SSP_HYBRID_MODEL -#define IO_GRADUAL_SNAPSHOT_RESTART -#endif -#ifndef IO_SINKS_ONLY_SNAPSHOT_FREQUENCY -#define IO_SINKS_ONLY_SNAPSHOT_FREQUENCY 0 /* Determines the number of snapshots with reduced data (stars only) per full snapshots (gas+stars), e.g., setting it to 2 means 2/3 of the snapshots will be reduced, 1/3 will have full data. Setting it to 0 disables it. */ -#endif -#define SINGLE_STAR_SINK_DYNAMICS -#if !defined(PMGRID) && !defined(FIRE_SUPERLAGRANGIAN_JEANS_REFINEMENT) && !defined(USE_TIMESTEP_DILATION_FOR_ZOOMS) -#define HERMITE_INTEGRATION 32 // bitflag for which particles to do 4th-order Hermite integration -#endif -#define ADAPTIVE_GRAVSOFT_FORGAS -#define GRAVITY_ACCURATE_FEWBODY_INTEGRATION -#define SINGLE_STAR_TIMESTEPPING 0 -#define SINGLE_STAR_ACCRETION 12 -#define SINGLE_STAR_SINK_FORMATION (0+1+2+4+8+16+32+64+2048) // 0=density threshold, 1=virial criterion, 2=convergent flow, 4=local extremum, 8=no sink in kernel, 16=not falling into sink, 32=hill (tidal) criterion, 64=Jeans criterion, 128=converging flow along all principle axes, 256=self-shielding/molecular, 512=multi-free-fall (smooth dependence on virial), 1024=numerical escape if too dense, 2048=virial is time-averaged -#ifndef SINGLE_STAR_DIRECT_GRAVITY_RADIUS -#define SINGLE_STAR_DIRECT_GRAVITY_RADIUS (1000.) // distance inside of which star-star gravitational interactions are calculated exactly, in AU -#endif -#ifndef ADAPTIVE_TREEFORCE_UPDATE -#define ADAPTIVE_TREEFORCE_UPDATE (0.0625) // optimization -#endif -//#define DEVELOPER_MODE // no longer needed for parameter-setting, since these will be set automatically in the current default-setting with parameters desired given flags set -#if !defined(SINGLE_STAR_AND_SSP_NUCLEAR_ZOOM) && !defined(FIRE_SUPERLAGRANGIAN_JEANS_REFINEMENT) -#define IO_SUPPRESS_TIMEBIN_STDOUT 16 // only prints outputs to log file if the highest active timebin index is within n of the highest timebin (dt_bin=2^(-N)*dt_bin,max) -#endif -#define OUTPUT_SINK_ACCRETION_HIST // save accretion histories -#define OUTPUT_SINK_FORMATION_PROPS // save at-formation properties of sink particles -#if ( defined(STARFORGE_GMC_TURBINIT) || defined(STARFORGE_FILAMENT_TURBINIT) ) // these flags should be given numerical values equal to the desired virial parameter -#define TURB_DRIVING -#define GRAVITY_ANALYTIC -#define SELFGRAVITY_OFF -#endif -#define BH_ALPHADISK_ACCRETION (1.0e6) -#ifdef GRAIN_FLUID -#define BH_GRAVCAPTURE_NONGAS -#endif -#ifdef MAGNETIC -#define MHD_CONSTRAINED_GRADIENT 1 -#endif -#if ( defined(SINGLE_STAR_FB_JETS) || defined(SINGLE_STAR_FB_WINDS) || defined(SINGLE_STAR_FB_RT_HEATING) || defined(SINGLE_STAR_FB_SNE) || defined(SINGLE_STAR_FB_RAD) || defined(SINGLE_STAR_FB_LOCAL_RP)) -#define SINGLE_STAR_STARFORGE_PROTOSTELLAR_EVOLUTION 2 //we are using the protostellar evolution model from ORION -#endif -#if ( defined(SINGLE_STAR_FB_JETS) || defined(SINGLE_STAR_FB_WINDS) || defined(SINGLE_STAR_FB_SNE) ) //enable diffusion for metals and enable tracers for different feedback channels -#define STARFORGE_FEEDBACK_TRACERS 3 // 0 for jets, 1 for winds, 2 for SNe -#define TURB_DIFF_METALS -#define TURB_DIFF_METALS_LOWORDER -#endif -#ifdef SINGLE_STAR_FB_RAD -#define RT_M1 -#define RT_COMOVING -#ifndef OUTPUT_RT_RAD_FLUX -#define OUTPUT_RT_RAD_FLUX -#if !defined(SINGLE_STAR_AND_SSP_HYBRID_MODEL) -#define IO_SUPPRESS_OUTPUT_EDDINGTON_TENSOR -#endif -#endif -#ifndef RT_SOURCES -#define RT_SOURCES 32 -#endif -#ifndef RT_SPEEDOFLIGHT_REDUCTION -#define RT_SPEEDOFLIGHT_REDUCTION (3.0e-4) -#endif -#define RT_REPROCESS_INJECTED_PHOTONS -#define RT_BH_ANGLEWEIGHT_PHOTON_INJECTION -#define RT_OPTICAL_NIR -#define RT_NUV -#define RT_PHOTOELECTRIC -#ifndef RT_CHEM_PHOTOION -#define RT_CHEM_PHOTOION 1 -#endif -#define RT_INFRARED -#if !defined(RT_ISRF_BACKGROUND) && !defined(SINGLE_STAR_AND_SSP_HYBRID_MODEL) -#define RT_ISRF_BACKGROUND -#endif -#if defined(RT_INFRARED) -#define RT_REINJECT_ACCRETED_PHOTONS // need to reinject any photons that are removed from the simulation by the accretion algorithm; particularly important at small RSOL and high optical depths -#endif -#endif -// Below gives a better approximation for column density than the usual scale-length estimator, but is overkill for typical 1e-3msun-resolving simulations that only marginally resolve the opacity limit. Enable for high (<1e-5msun) resolution sims -#if (defined(COOLING) && !defined(COOL_LOWTEMP_THIN_ONLY) && !defined(RT_INFRARED) && !defined(NOGRAVITY)) -#define RT_USE_TREECOL_FOR_NH 6 -#endif -#ifdef COOLING -#define SIMPLE_STEADYSTATE_CHEMISTRY -#define COOL_UVB_SELFSHIELD_RAHMATI -#define COOL_MOLECFRAC_NONEQM -#define EOS_PRECOMPUTE -#define EOS_SUBSTELLAR_ISM -#define OUTPUT_MOLECULAR_FRACTION -#if defined(MAGNETIC) && !defined(CONDUCTION) && !defined(VISCOSITY) // if we have cooling and magnetic fields, enable conduction + viscosity -#define CONDUCTION /* enable conduction */ -#define CONDUCTION_SPITZER /* compute proper coefficients and anisotropy for conduction */ -#define VISCOSITY /* enable viscosity */ -#define VISCOSITY_BRAGINSKII /* compute proper coefficients and anisotropy for viscosity */ -#define DIFFUSION_OPTIMIZERS -#endif // MAGNETIC -#if !defined(RT_ISRF_BACKGROUND) && !defined(SINGLE_STAR_AND_SSP_HYBRID_MODEL) -#define RT_ISRF_BACKGROUND // Draine 1978 ISRF for photoelectric heating (appropriate for solar circle, must be re-scaled for different environments) -#endif -#endif // COOLING -#if defined(SINGLE_STAR_FB_WINDS) && defined(SINGLE_STAR_STARFORGE_PROTOSTELLAR_EVOLUTION) || defined(COOLING) -#define GALSF_FB_FIRE_STELLAREVOLUTION 3 // enable multi-loop feedback from such sources [this is specific to the DG-MG implementations here, not for public use right now!]. for now set to =2, which should force the code version to match previous iterations, as compared to the newer implementations. -#endif -#if defined(RT_ISRF_BACKGROUND) -#if CHECK_IF_PREPROCESSOR_HAS_NUMERICAL_VALUE_(RT_ISRF_BACKGROUND) -#if (RT_ISRF_BACKGROUND <= 0) -#undef RT_ISRF_BACKGROUND /* use the negative or zero value above as a key to specifically -undefine- this variable, otherwise it will cause problems below by calling 0 to reset quantities it should not */ -#endif -#endif -#endif -#endif // SINGLE_STAR_STARFORGE_DEFAULTS - - -#ifdef SINGLE_STAR_SINK_DYNAMICS -#define GALSF // top-level switch needed to enable various frameworks -#define METALS // metals should be active for stellar return -#define BLACK_HOLES // need to have black holes active since these are our sink particles -#define BH_INTERACT_ON_GAS_TIMESTEP // BH-gas interactions (feedback and accretion) occur with frequency set by the gas timestep -#define BH_CALC_DISTANCES // calculate distance to nearest sink in gravity tree - - -#ifdef SINGLE_STAR_ACCRETION // figure out flags needed for the chosen sink accretion model -#define BH_SWALLOWGAS // need to swallow gas [part of sink model] -#ifndef BH_ALPHADISK_ACCRETION -#define BH_ALPHADISK_ACCRETION (2.) // all models will use a 'reservoir' of some kind to smooth out accretion rates (and represent unresolved disk) -#endif -#if (SINGLE_STAR_ACCRETION <= 8) -#define BH_GRAVACCRETION (SINGLE_STAR_ACCRETION) // use one of these pre-built accretion models -#endif -#if (SINGLE_STAR_ACCRETION == 9) -#define BH_BONDI 0 // use 'normal' Bondi-Hoyle accretion rate -#endif -#if (SINGLE_STAR_ACCRETION == 10) -#define BH_BONDI 1 // use Bondi rate ignoring local relative velocities -#endif -#if (SINGLE_STAR_ACCRETION == 11) -#define BH_GRAVCAPTURE_GAS // use gravitational capture swallow criterion for resolved gravitational capture -#endif -#if (SINGLE_STAR_ACCRETION == 12) -#define BH_GRAVCAPTURE_GAS -#define BH_GRAVCAPTURE_FIXEDSINKRADIUS // modify grav capture to Bate-style, fixed (in time) sink radius based on SF neighbor distance, plus angular momentum criterion -#endif -#endif - -#if (defined(SINGLE_STAR_FB_JETS) || defined(SINGLE_STAR_FB_WINDS) || defined(SINGLE_STAR_FB_RT_HEATING) || defined(SINGLE_STAR_FB_SNE) || defined(RT_OTVET) || defined(RT_FLUXLIMITEDDIFFUSION) || defined(RT_M1) || defined(RT_LOCALRAYGRID) || defined(SINGLE_STAR_FB_LOCAL_RP)) && defined(SINGLE_STAR_TIMESTEPPING) && defined(SINGLE_STAR_SINK_DYNAMICS) -#define SINGLE_STAR_FB_TIMESTEPLIMIT // general flag indicating feedback is on -#endif - -#if defined(SINGLE_STAR_FB_RT_HEATING) && !(defined(RT_OTVET) || defined(RT_FLUXLIMITEDDIFFUSION) || defined(RT_M1) || defined(RT_LOCALRAYGRID)) -#define GALSF_FB_FIRE_RT_LONGRANGE // turn on FIRE RT approximation: no Type-4 particles so don't worry about its approximations -#define BH_PHOTONMOMENTUM // enable BHs within the FIRE-RT framework. -#define RT_DISABLE_RAD_PRESSURE -#endif - -#if (defined(SINGLE_STAR_FB_WINDS) || defined(SINGLE_STAR_FB_SNE)) && !defined(GALSF_FB_MECHANICAL) -#define GALSF_FB_MECHANICAL // we will use the mechanical wind module for low mass loss rate stars (spawning leads to issues). enable regardless if either the winds or sne module is active -#define GALSF_USE_SNE_ONELOOP_SCHEME -#endif - -#if defined(SINGLE_STAR_STARFORGE_PROTOSTELLAR_EVOLUTION) && !defined(GALSF_FB_FIRE_STELLAREVOLUTION) -#define GALSF_FB_FIRE_STELLAREVOLUTION 3 /* this particular set of modules depends on the fire modules explicitly now, using them for yields and other infrastructure */ -#endif - -#ifdef SINGLE_STAR_FB_SNE -#if !(CHECK_IF_PREPROCESSOR_HAS_NUMERICAL_VALUE_(SINGLE_STAR_FB_SNE)) /* no numerical value is set, so set one as our 'default' */ -#undef SINGLE_STAR_FB_SNE -#define SINGLE_STAR_FB_SNE 1 // fraction of the SN energy in the kinetic energy of particles vs internal -#endif -#endif - -#if defined(SINGLE_STAR_FB_JETS) || ((defined(SINGLE_STAR_FB_WINDS) || defined(SINGLE_STAR_FB_SNE)) && defined(SINGLE_STAR_STARFORGE_PROTOSTELLAR_EVOLUTION)) -#define BH_WIND_SPAWN (2) // leverage the BHFB model already developed within the FIRE-BHs framework. gives accurate launching of arbitrarily-structured jets. -#if !defined(SINGLE_STAR_AND_SSP_NUCLEAR_ZOOM) -#define MAINTAIN_TREE_IN_REARRANGE // don't rebuild the domains/tree every time a particle is spawned - salvage the existing one by redirecting pointers as needed -#endif -#endif - -#if defined(SINGLE_STAR_FB_LOCAL_RP) // use standard angle-weighted local coupling to impart photon momentum from stars -#if !defined(BH_PHOTONMOMENTUM) -#define BH_PHOTONMOMENTUM -#endif -#if !defined(RT_DISABLE_RAD_PRESSURE) -#define RT_DISABLE_RAD_PRESSURE // we only want the local short-ranged photon momentum, since SF sims can easily get into the badly non-photon-conserving limit where LEBRON fluxes are less accurate -#endif -#endif - -#if defined(COOLING) && !defined(COOL_GRACKLE) // if not using grackle modules, need to make sure appropriate cooling is enabled -#ifndef COOL_LOW_TEMPERATURES -#define COOL_LOW_TEMPERATURES // make sure low-temperature cooling is enabled! -#endif -#ifndef COOL_METAL_LINES_BY_SPECIES -#define COOL_METAL_LINES_BY_SPECIES // metal-based cooling enabled -#endif -#define OUTPUT_TEMPERATURE -#endif - -#endif // SINGLE_STAR_SINK_DYNAMICS - - -#if (SINGLE_STAR_SINK_FORMATION & 1) || (SINGLE_STAR_SINK_FORMATION & 2048) // figure out flags needed for the chosen sink formation model [note these CAN be used even if single-star top-level flag is off, as additional SF/sink formation criteria for e.g. GALSF sims] -#if (SINGLE_STAR_SINK_FORMATION & 2048) -#define GALSF_SFR_VIRIAL_SF_CRITERION 2 -#else -#define GALSF_SFR_VIRIAL_SF_CRITERION 1 -#endif -#endif -#if (SINGLE_STAR_SINK_FORMATION & 16) -#ifndef SINGLE_STAR_TIMESTEPPING -#define SINGLE_STAR_TIMESTEPPING 0 -#endif -#endif -#if (SINGLE_STAR_SINK_FORMATION & 32) -#define GALSF_SFR_TIDAL_HILL_CRITERION -#endif - - -#ifdef GRAVITY_ACCURATE_FEWBODY_INTEGRATION /* utility flag to enable a few different extra-conservative time-integration flags for gravity */ -#if !defined(GRAVITY_HYBRID_OPENING_CRIT) -#define GRAVITY_HYBRID_OPENING_CRIT // use both Barnes-Hut + relative tree opening criterion -#endif -#if !defined(STOP_WHEN_BELOW_MINTIMESTEP) -#define STOP_WHEN_BELOW_MINTIMESTEP // stop when below min timestep to prevent bad timestepping -#endif -//#define RANDOMIZE_GRAVTREE /* move the top tree node around randomly so that treeforce errors are not correlated between one treebuild and another */ -#define TIDAL_TIMESTEP_CRITERION // use tidal tensor timestep criterion -#endif -#ifdef HERMITE_INTEGRATION -#define COMPUTE_JERK_IN_GRAVTREE /* needs to be computed in order to do the Hermite integration */ -#ifndef TIDAL_TIMESTEP_CRITERION -#define TIDAL_TIMESTEP_CRITERION // use tidal tensor timestep criterion -- otherwise won't effectively leverage the Hermite integrator timesteps -#endif -#endif - -#ifdef RT_USE_TREECOL_FOR_NH -#if !defined(GRAVTREE_CALCULATE_GAS_MASS_IN_NODE) -#define GRAVTREE_CALCULATE_GAS_MASS_IN_NODE -#endif -#endif - -#if (defined(SINGLE_STAR_FB_SNE) || defined(SINGLE_STAR_FB_WINDS)) && !defined(SINGLE_STAR_FB_SNE_N_EJECTA_QUADRANT) -#define SINGLE_STAR_FB_SNE_N_EJECTA_QUADRANT 2 // determines the maximum number of ejecta particles spawned per timestep, see below -#endif -#if defined(SINGLE_STAR_FB_SNE_N_EJECTA_QUADRANT) -#define SINGLE_STAR_FB_SNE_N_EJECTA (4*(SINGLE_STAR_FB_SNE_N_EJECTA_QUADRANT)*((SINGLE_STAR_FB_SNE_N_EJECTA_QUADRANT)+1)) // maximum number of ejecta cells spawned per timestep - follows from tiling rules for rays from RHD-direct-ray method -#endif - -#ifdef ADAPTIVE_TREEFORCE_UPDATE // instead of going into the tree every timestep, only update gravity with a frequency set by this fraction of dynamical timescale (default for gas only) -#ifndef TIDAL_TIMESTEP_CRITERION -#define TIDAL_TIMESTEP_CRITERION // need this to estimate the dynamical time -#endif -#endif - - -#if (SINGLE_STAR_TIMESTEPPING > 0) /* if single-star timestepping is on, need to make sure the binary-identification flag is active */ -#ifndef SINGLE_STAR_FIND_BINARIES -#define SINGLE_STAR_FIND_BINARIES -#endif -#endif - -#ifdef MHD_CONSTRAINED_GRADIENT -/* make sure mid-point gradient calculation for cleaning terms is enabled */ -#ifndef MHD_CONSTRAINED_GRADIENT_MIDPOINT -#define MHD_CONSTRAINED_GRADIENT_MIDPOINT -#endif -#endif -/* these are tolerances for the slope-limiters. we define them here, because the gradient constraint routine needs to - be sure to use the -same- values in both the gradients and reimann solver routines */ -#if MHD_CONSTRAINED_GRADIENT -#if (MHD_CONSTRAINED_GRADIENT > 1) -#define MHD_CONSTRAINED_GRADIENT_FAC_MINMAX 7.5 -#define MHD_CONSTRAINED_GRADIENT_FAC_MEDDEV 5.0 -#define MHD_CONSTRAINED_GRADIENT_FAC_MED_PM 0.25 -#define MHD_CONSTRAINED_GRADIENT_FAC_MAX_PM 0.25 -#else -#define MHD_CONSTRAINED_GRADIENT_FAC_MINMAX 7.5 -#define MHD_CONSTRAINED_GRADIENT_FAC_MEDDEV 1.5 -#define MHD_CONSTRAINED_GRADIENT_FAC_MED_PM 0.2 -#define MHD_CONSTRAINED_GRADIENT_FAC_MAX_PM 0.2 -#endif -#else -#define MHD_CONSTRAINED_GRADIENT_FAC_MINMAX 2.0 -#define MHD_CONSTRAINED_GRADIENT_FAC_MEDDEV 1.0 -#define MHD_CONSTRAINED_GRADIENT_FAC_MED_PM 0.20 -#define MHD_CONSTRAINED_GRADIENT_FAC_MAX_PM 0.125 -#endif - - -/* force 'parent' or 'top-level' flags to be enabled for the appropriate methods, if we have enabled something using those methods */ - - -/* ----- giant block of options for RHD modules ------ */ - -/* options for FIRE RT method */ -#if defined(GALSF_FB_FIRE_RT_LONGRANGE) -#define RT_LEBRON // this flag requires lebron for rhd -#endif -#if defined(RT_LEBRON) -#define RT_USE_GRAVTREE // use gravity tree for flux propagation -#define RT_USE_GRAVTREE_SAVE_RAD_ENERGY -#if !defined(GALSF_FB_FIRE_RT_LONGRANGE) -#define RADTRANSFER // for cross-compatibility reasons, if the FIRE version is not on, need RADTRANSFER flag also enabled -#define RT_USE_GRAVTREE_SAVE_RAD_FLUX -#endif -#endif - -/* check whether we want to use the implicit solver [only usable for very special cases, not recommended] */ -#if defined(RT_DIFFUSION_IMPLICIT) && (defined(RT_OTVET) || defined(RT_FLUXLIMITEDDIFFUSION)) // only modules the implicit solver works with -#define RT_DIFFUSION_CG // use our implicit solver [will crash with any other modules, hence checking this before the others below] -#endif - -/* options for FLD or OTVET or M1 or Ray/Rad_Intensity modules */ -#if defined(RT_OTVET) || defined(RT_FLUXLIMITEDDIFFUSION) || defined(RT_M1) || defined(RT_LOCALRAYGRID) -#ifndef RADTRANSFER -#define RADTRANSFER // RADTRANSFER is ON, obviously -#endif -#define RT_SOURCE_INJECTION // need source injection enabled to define emissivity -#if !defined(RT_DIFFUSION_CG) -#define RT_SOLVER_EXPLICIT // default to explicit solutions (much more accurate/flexible) -#endif -#endif /* end of options for our general RHD methods */ - -/* OTVET-specific options [uses the gravity tree to calculate the Eddington tensor] */ -#if defined(RT_OTVET) -#define RT_USE_GRAVTREE // use gravity tree for Eddington tensor -#ifndef RT_SEPARATELY_TRACK_LUMPOS -#define RT_SEPARATELY_TRACK_LUMPOS // and be sure to track luminosity locations -#endif -#endif /* end of otvet-specific options */ - -/* M1-specific options [make sure to add the flux moment */ -#if defined(RT_M1) -#define RT_EVOLVE_FLUX // evolve flux moment [not just energy moment assumed by FLD/OTVET] -#endif - -/* options for direct/exact Jiang et al. method for direct evolution on an intensity grid */ -#if defined(RT_LOCALRAYGRID) -#define RT_EVOLVE_INTENSITIES // evolve the intensities explicitly -#define N_RT_INTENSITY_BINS (4*(RT_LOCALRAYGRID)*((RT_LOCALRAYGRID)+1)) // define number of directional bins, used throughout -#define RT_INTENSITY_BINS_DOMEGA (4.*M_PI/((double)N_RT_INTENSITY_BINS)) // normalization coefficient (for convenience defined here) -#endif - -/* check if we are -explicitly- evolving the radiation energy density [0th moment], in which case we need to carry time-derivatives of the field */ -#if defined(RT_SOLVER_EXPLICIT) && !defined(RT_EVOLVE_INTENSITIES) // only needed if we are -not- evolving intensities and -are- solving explicitly -#define RT_EVOLVE_ENERGY -#if !defined(RT_EVOLVE_FLUX) && !defined(RT_DISABLE_FLUXLIMITER) // evolving energy explicitly but not flux, flux-limiting is not disabled -#define RT_FLUXLIMITER // default to include flux-limiter under these conditions -#endif -#endif - -/* enable radiation pressure forces unless they have been explicitly disabled */ -#if defined(RADTRANSFER) && !defined(RT_DISABLE_RAD_PRESSURE) && !defined(RT_OPACITY_FROM_EXPLICIT_GRAINS) -#define RT_RAD_PRESSURE_FORCES -#endif - -#ifdef RT_SOURCE_INJECTION -#if defined(GALSF) && !defined(RT_INJECT_PHOTONS_DISCRETELY) -#define RT_INJECT_PHOTONS_DISCRETELY // modules will not work correctly with differential timestepping with point sources without discrete injection -#endif -#if defined(RT_INJECT_PHOTONS_DISCRETELY) && defined(RT_RAD_PRESSURE_FORCES) && (defined(RT_ENABLE_R15_GRADIENTFIX) || defined(GALSF)) -#define RT_INJECT_PHOTONS_DISCRETELY_ADD_MOMENTUM_FOR_LOCAL_EXTINCTION // adds correction for un-resolved extinction which cannot generate photon momentum with M1, FLD, OTVET, etc. -#endif -#endif - -/* check if we need to explicitly calculate gradients of the radiation pressure tensor for the diffusive step */ -#if (defined(RT_FLUXLIMITER) || defined(RT_RAD_PRESSURE_FORCES) || defined(RT_SOLVER_EXPLICIT)) && !defined(RT_COMPGRAD_EDDINGTON_TENSOR) //&& !defined(RT_EVOLVE_FLUX) && !defined(RT_EVOLVE_INTENSITIES)) -#define RT_COMPGRAD_EDDINGTON_TENSOR -#endif - -/* enable appropriate chemistry flags if we are using the photoionization modules */ -#if defined(RT_CHEM_PHOTOION) -#if (RT_CHEM_PHOTOION > 1) -/* enables multi-frequency radiation transport for ionizing photons. Integration variable is the ionising intensity J_nu */ -#define RT_CHEM_PHOTOION_HE -#define RT_PHOTOION_MULTIFREQUENCY // if using He-ionization, default to multi-frequency RT [otherwise doesn't make sense] // -#endif -#endif - -/* enable appropriate flags for X-ray sub-modules */ -#if defined(RT_XRAY) -#if (RT_XRAY == 1) -#define RT_SOFT_XRAY -#endif -#if (RT_XRAY == 2) -#define RT_HARD_XRAY -#endif -#if (RT_XRAY == 3) -#define RT_SOFT_XRAY -#define RT_HARD_XRAY -#endif -#endif - -/* default to speed-of-light equal to actual speed-of-light, and stars as photo-ionizing sources */ -#ifndef RT_SPEEDOFLIGHT_REDUCTION -#define RT_SPEEDOFLIGHT_REDUCTION (1.0) -#endif -#ifndef RT_SOURCES -#define RT_SOURCES 1+2+4+8+16+32 // default to allowing all types to act as sources // -#endif - -/* cooling must be enabled for RT cooling to function */ -#if defined(RT_COOLING_PHOTOHEATING_OLDFORMAT) && !defined(COOLING) -#define COOLING -#endif - -#if !defined(RT_USE_GRAVTREE) && defined(RT_SELFGRAVITY_OFF) && !defined(SELFGRAVITY_OFF) -#define SELFGRAVITY_OFF // safely define SELFGRAVITY_OFF in this case, otherwise we act like there is gravity except in the final setting of accelerations -#endif - -/* turn on outputs appropriately */ -#ifdef RADTRANSFER -#if !defined(OUTPUT_EDDINGTON_TENSOR) && !defined(IO_SUPPRESS_OUTPUT_EDDINGTON_TENSOR) -#define OUTPUT_EDDINGTON_TENSOR -#endif -#endif - -/* ----- end block of options for RHD modules ------ */ - - -#if defined(GALSF) || defined(BLACK_HOLES) || defined(RADTRANSFER) || defined(OUTPUT_DENS_AROUND_STAR) || defined(CHIMES) || defined(RT_REPROCESS_INJECTED_PHOTONS) -#define DO_DENSITY_AROUND_STAR_PARTICLES -#if !defined(ALLOW_IMBALANCED_GASPARTICLELOAD) -#define ALLOW_IMBALANCED_GASPARTICLELOAD -#endif -#endif -#if defined(GALSF_SFR_VIRIAL_SF_CRITERION) -#if (GALSF_SFR_VIRIAL_SF_CRITERION >= 5) -#define GALSF_SFR_TIDAL_HILL_CRITERION -#endif -#if (GALSF_SFR_VIRIAL_SF_CRITERION >= 2) -#define GALSF_SFR_VIRIAL_CRITERION_TIMEAVERAGED -#endif -#endif - - -#if defined(BH_SWALLOWGAS) -#define BH_FOLLOW_ACCRETED_COM -#define BH_FOLLOW_ACCRETED_MOMENTUM -#if defined(SINGLE_STAR_SINK_DYNAMICS) || defined(BH_GRAVCAPTURE_GAS) -#define BH_FOLLOW_ACCRETED_ANGMOM 0 // follow accreted AM just from explicit 'swallow' operations -#else -#define BH_FOLLOW_ACCRETED_ANGMOM 1 // follow accreted AM from 'swallowed' BH particles, and from continuous/smooth properties [mdot] of kernel gas near BH -#endif -#endif - - -//#define ENERGY_ENTROPY_SWITCH_IS_ACTIVE -/* this is a ryu+jones type energy/entropy switch. it can help with some problems, but can also generate significant - errors in other types of problems. in general, even for pure hydro, this isn't recommended; use it for special problems if you know what you are doing. */ - - - - -#ifdef MAGNETIC -/* recommended MHD switches -- only turn these off for de-bugging */ -#define DIVBCLEANING_DEDNER /* hyperbolic/parabolic div-cleaing (Dedner 2002), with TP improvements */ -/* MHD switches specific to SPH MHD */ -#ifdef HYDRO_SPH -#define SPH_TP12_ARTIFICIAL_RESISTIVITY /* turns on magnetic dissipation ('artificial resistivity'): uses tricco switch =h*|gradB|/|B| */ -#endif -#endif - - -#if defined(TURB_DIFF_ENERGY) || defined(TURB_DIFF_VELOCITY) || defined(TURB_DIFF_MASS) || defined(TURB_DIFF_METALS) -#define TURB_DIFFUSION /* top-level switch to calculate properties needed for scalar turbulent diffusion/mixing: must enable with any specific version */ -#if defined(TURB_DIFF_VELOCITY) && !defined(VISCOSITY) -#define VISCOSITY -#endif -#if defined(TURB_DIFF_ENERGY) && !defined(CONDUCTION) -#define CONDUCTION -#endif -#endif - -#if defined(RT_OPACITY_FROM_EXPLICIT_GRAINS) || defined(GALSF_ISMDUSTCHEM_MODEL) || defined(RT_INFRARED) -#define OUTPUT_DUST_TO_GAS_RATIO // helpful if these special modules are on to see this output and save it for use in analysis -#endif - -#if defined(OUTPUT_POTENTIAL) && !defined(EVALPOTENTIAL) -#define EVALPOTENTIAL -#endif - -#if defined(BH_REPOSITION_ON_POTMIN) -#if (BH_REPOSITION_ON_POTMIN < 0) -#undef BH_REPOSITION_ON_POTMIN // this is a key to un-define this variable if it is set, useful for some of the preset variable packages above // -#endif -#endif - -#if defined(BLACK_HOLES) && (defined(BH_REPOSITION_ON_POTMIN) || defined(BH_SEED_FROM_FOF)) -#ifndef EVALPOTENTIAL -#define EVALPOTENTIAL -#endif -#if !defined(BH_DYNFRICTION) && (BH_REPOSITION_ON_POTMIN == 2) -#define BH_DYNFRICTION 1 // use for local damping of anomalous velocities wrt background medium // -#endif -#endif - - -#ifdef EVALPOTENTIAL -#ifndef COMPUTE_POTENTIAL_ENERGY -#define COMPUTE_POTENTIAL_ENERGY -#endif -#endif - - -#if defined(COOL_MOLECFRAC) -#if (COOL_MOLECFRAC == 6) && !defined(COOL_MOLECFRAC_NONEQM) -#define COOL_MOLECFRAC_NONEQM // estimate molecular fractions for thermochemistry+cooling with explicitly-evolved non-equilibirum H2 formation+destruction with clumping and self-shielding (Hopkins et al arXiv:2203.00040) -#elif (COOL_MOLECFRAC == 5) && !defined(COOL_MOLECFRAC_LOCALEQM) -#define COOL_MOLECFRAC_LOCALEQM // estimate molecular fractions for thermochemistry+cooling from local equilibrium H2 formation+destruction with clumping and self-shielding (Hopkins et al arXiv:2203.00040) -#elif (COOL_MOLECFRAC == 4) && !defined(COOL_MOLECFRAC_KMT) -#define COOL_MOLECFRAC_KMT // estimate f_H2 from approximate large-scale expressions from Krumholz, McKee, & Tumlinson (2009ApJ...693..216K). use the simpler Kumholz, McKee, & Tumlinson 2009 sub-grid model for molecular fractions in equilibrium, which is a function modeling spherical clouds of internally uniform properties exposed to incident radiation. Depends on column density, metallicity, and incident FUV field -#elif (COOL_MOLECFRAC == 3) && !defined(COOL_MOLECFRAC_GD) -#define COOL_MOLECFRAC_GD // estimate f_H2 from approximate large-scale expressions from Gnedin & Draine (2014ApJ...795...37G). use the sub-grid final expression calibrated to ~60pc resolution simulations with equilibrium molecular chemistry and post-processing radiative transfer from Gnedin & Draine 2014 (Eqs. 5-7) -#elif (COOL_MOLECFRAC == 2) && !defined(COOL_MOLECFRAC_KG) -#define COOL_MOLECFRAC_KG // estimate f_H2 with Krumholz & Gnedin 2010 fitting function, assuming simple scalings of radiation field, clumping, and other factors with basic gas properties so function only of surface density and metallicity, truncated at low values (or else it gives non-sensical answers) -#elif (COOL_MOLECFRAC == 1) && !defined(COOL_MOLECFRAC_GC) -#define COOL_MOLECFRAC_GC // if none of the above is set, default to a wildly-oversimplified scaling set by fits to the temperature below which gas at a given density becomes molecular from cloud simulations in Glover+Clark 2012 -#else -#define COOL_MOLECFRAC_GC // default if no value above set -#endif -#endif - - -#ifdef BOX_SHEARING -/* set default compile-time flags for the shearing-box (or shearing-sheet) boundaries */ -/* shearing box boundaries: 1=r-z sheet (coordinates [0,1,2] = [r,z,phi]), 2=r-phi sheet [r,phi,z], 3=[r-phi-z] box */ -#if (BOX_SHEARING==1) -#define BOX_SHEARING_PHI_COORDINATE 2 -#else -#define BOX_SHEARING_PHI_COORDINATE 1 -#endif -/* if the r-z or r-phi sheet is set, the code must be compiled in 2D mode */ -#if (BOX_SHEARING==1) || (BOX_SHEARING==2) -#ifndef BOX_SPATIAL_DIMENSION -#define BOX_SPATIAL_DIMENSION 2 -#endif -#endif -/* box must be periodic in this approximation */ -#ifndef BOX_PERIODIC -#define BOX_PERIODIC -#endif -/* if not set, default to q=3/2 (q==-dlnOmega/dlnr, used for boundary and velocity corrections) */ -#ifndef BOX_SHEARING_Q -#define BOX_SHEARING_Q (3.0/2.0) -#endif -/* set omega - usually we will default to always using time coordinates such that Omega = 1 at the box center */ -#define BOX_SHEARING_OMEGA_BOX_CENTER 1.0 -/* need analytic gravity on so we can add the appropriate source terms to the EOM */ -#ifndef GRAVITY_ANALYTIC -#define GRAVITY_ANALYTIC -#endif -/* if self-gravity is on, we need to make sure the gravitational forces are not periodic. this is going to cause some errors at the x/y 'edges', - but for now at least, the periodic gravity routines (particularly the FFT's involved) require a regular periodic map, they cannot handle the - non-standard map that the shearing box represents. */ -#ifndef GRAVITY_NOT_PERIODIC -#define GRAVITY_NOT_PERIODIC -#endif -#endif // BOX_SHEARING - - - -#if defined(GRAVITY_ANALYTIC) -#if CHECK_IF_PREPROCESSOR_HAS_NUMERICAL_VALUE_(GRAVITY_ANALYTIC) -#if (GRAVITY_ANALYTIC > 0) -#define GRAVITY_ANALYTIC_ANCHOR_TO_PARTICLE /* ok, analytic gravity is defined with a numerical value > 0, indicating we should use this flag */ -#ifndef BH_CALC_DISTANCES -#define BH_CALC_DISTANCES -#endif -#endif -#endif -#endif - -#if defined(EOS_SUBSTELLAR_ISM) || defined(COOL_MOLECFRAC_NONEQM) -#define EOS_GAMMA_VARIABLE -#endif -#ifdef EOS_PRECOMPUTE // cache EOS quantities - default to storing temperature and adiabatic index -#define EOS_CARRIES_TEMPERATURE -#define EOS_CARRIES_GAMMA -#endif - - -#if defined(EOS_GAMMA_VARIABLE) -#define GAMMA(i) (gamma_eos(i)) /*! use an actual function! */ -#ifndef EOS_GENERAL -#define EOS_GENERAL /*! needs to be on for this to work */ -#endif -#else -#define GAMMA(i) (EOS_GAMMA) /*! default to this being a universal constant */ -#endif -#define GAMMA_DEFAULT (EOS_GAMMA) - -#if defined(CONDUCTION) || defined(EOS_GENERAL) -#define DOGRAD_INTERNAL_ENERGY 1 -#endif - -#if defined(EOS_GENERAL) -#define DOGRAD_SOUNDSPEED 1 -#endif - - - - - - -/*------- Things that are always recommended -------*/ - - -#ifdef MPISENDRECV_SIZELIMIT -#undef MPI_Sendrecv -#define MPI_Sendrecv MPI_Sizelimited_Sendrecv -#endif - -#ifdef MPISENDRECV_CHECKSUM -#undef MPI_Sendrecv -#define MPI_Sendrecv MPI_Check_Sendrecv -#endif - - -#include "tags.h" -#include - - -#ifdef MYSORT -#define MYSORT_DATAINDEX mysort_dataindex -#else // MYSORT -#define MYSORT_DATAINDEX qsort -#endif - -#ifndef DISABLE_MEMORY_MANAGER // compiler specific data alignment hints: use only with memory manager as malloc'd memory is not sufficiently aligned -// (experimenting right now with removing this, as many compilers internal AVX optimizations appear to be doing marginally better, and can resolve crashes on some compilers) -#if defined(__xlC__) // XLC compiler -#define ALIGN(n) __attribute__((__aligned__(n))) -#elif defined(__GNUC__) // GNU compiler -#define ALIGN(n) __attribute__((__aligned__(n))) -#elif defined(__INTEL_COMPILER) // Intel Compiler -#define ALIGN(n) __declspec(align(n)) -#endif -#endif -#ifndef ALIGN // Unknown Compiler or using default malloc -#define ALIGN(n) -#endif - -#define ASSIGN_ADD(x,y,mode) (mode == 0 ? (x=y) : (x+=y)) - - -#ifndef GALSF_GENERATIONS -#define GALSF_GENERATIONS 1 /*!< Number of star particles that may be created per gas particle */ -#endif - -#ifdef LONG_INTEGER_TIME -typedef long long integertime; -static MPI_Datatype MPI_TYPE_TIME = MPI_LONG_LONG; -#define TIMEBINS 60 -#else -typedef int integertime; -static MPI_Datatype MPI_TYPE_TIME = MPI_INT; -#define TIMEBINS 29 -#endif -#define TIMEBASE (((integertime) 1)<boxHalf_X)?((x)-boxSize_X):(((x)<-boxHalf_X)?((x)+boxSize_X):(x))) /* normal (signed) periodic wrap */ -#define NGB_PERIODIC_BOX_LONG_X(x,y,z,sign) (xtmp=fabs(x),(xtmp>boxHalf_X)?(boxSize_X-xtmp):xtmp) /* absolute value of normal periodic wrap */ -#else // x-axis is non-periodic -#define TMP_WRAP_X_S(x,y,z,sign) /* this is an empty macro: nothing will happen to the variables input here */ -#define NGB_PERIODIC_BOX_LONG_X(x,y,z,sign) (fabs(x)) /* simple absolute value */ -#endif - -#if defined(BOX_PERIODIC) && !(defined(BOX_REFLECT_Z) || defined(BOX_OUTFLOW_Z)) // z-axis is periodic -#define TMP_WRAP_Z_S(x,y,z,sign) (z=((z)>boxHalf_Z)?((z)-boxSize_Z):(((z)<-boxHalf_Z)?((z)+boxSize_Z):(z))) /* normal (signed) periodic wrap */ -#define NGB_PERIODIC_BOX_LONG_Z(x,y,z,sign) (xtmp=fabs(z),(xtmp>boxHalf_Z)?(boxSize_Z-xtmp):xtmp) /* absolute value of normal periodic wrap */ -#else // z-axis is non-periodic -#define TMP_WRAP_Z_S(x,y,z,sign) /* this is an empty macro: nothing will happen to the variables input here */ -#define NGB_PERIODIC_BOX_LONG_Z(x,y,z,sign) (fabs(z)) /* simple absolute value */ -#endif - -#if defined(BOX_PERIODIC) && !(defined(BOX_REFLECT_Y) || defined(BOX_OUTFLOW_Y)) // y-axis is periodic -#if (BOX_SHEARING > 1) // Shearing Periodic Box:: in this case, we have a shearing box with the '1' coordinate being phi, so there is a periodic extra wrap - -#define TMP_WRAP_Y_S(x,y,z,sign) (\ -y += Shearing_Box_Pos_Offset * (((x)>boxHalf_X)?(1):(((x)<-boxHalf_X)?(-1):(0))),\ -y = ((y)>boxSize_Y)?((y)-boxSize_Y):(((y)<-boxSize_Y)?((y)+boxSize_Y):(y)),\ -y=((y)>boxHalf_Y)?((y)-boxSize_Y):(((y)<-boxHalf_Y)?((y)+boxSize_Y):(y))) /* shear-periodic wrap in y, accounting for the position offset needed for azimuthal wrap off the radial axis */ - -#define NGB_PERIODIC_BOX_LONG_Y(x,y,z,sign) (\ -xtmp = y + Shearing_Box_Pos_Offset * (((x)>boxHalf_X)?(1):(((x)<-boxHalf_X)?(-1):(0))),\ -xtmp = fabs(((xtmp)>boxSize_Y)?((xtmp)-boxSize_Y):(((xtmp)<-boxSize_Y)?((xtmp)+boxSize_Y):(xtmp))),\ -(xtmp>boxHalf_Y)?(boxSize_Y-xtmp):xtmp) /* shear periodic wrap in y, accounting for the position offset needed for azimuthal wrap off the radial axis: absolute value here */ - -#else // 'normal' periodic y-axis, nothing special -#define TMP_WRAP_Y_S(x,y,z,sign) (y=((y)>boxHalf_Y)?((y)-boxSize_Y):(((y)<-boxHalf_Y)?((y)+boxSize_Y):(y))) /* normal (signed) periodic wrap */ -#define NGB_PERIODIC_BOX_LONG_Y(x,y,z,sign) (xtmp=fabs(y),(xtmp>boxHalf_Y)?(boxSize_Y-xtmp):xtmp) /* absolute value of normal periodic wrap */ -#endif -#else // y-axis is non-periodic -#define TMP_WRAP_Y_S(x,y,z,sign) /* this is an empty macro: nothing will happen to the variables input here */ -#define NGB_PERIODIC_BOX_LONG_Y(x,y,z,sign) (fabs(y)) /* simple absolute value */ -#endif - -#define NEAREST_XYZ(x,y,z,sign) {\ -TMP_WRAP_Y_S(x,y,z,sign);\ -TMP_WRAP_X_S(x,y,z,sign);\ -TMP_WRAP_Z_S(x,y,z,sign);} /* note the ORDER MATTERS here for shearing boxes: Y-wrap must precede x/z wrap to allow correct re-assignment. collect the box-wrapping terms into one function here */ - - - -#if 0 /* below is the old code block for this, replaced with the more flexible structures above, retained for de-bugging for now */ - -#ifdef BOX_PERIODIC -#define NGB_PERIODIC_BOX_LONG_X(x,y,z,sign) (xtmp=fabs(x),(xtmp>boxHalf_X)?(boxSize_X-xtmp):xtmp) // normal periodic wrap // -#define NGB_PERIODIC_BOX_LONG_Z(x,y,z,sign) (xtmp=fabs(z),(xtmp>boxHalf_Z)?(boxSize_Z-xtmp):xtmp) // normal periodic wrap // - -#if (BOX_SHEARING > 1) -/* Shearing Periodic Box:: - in this case, we have a shearing box with the '1' coordinate being phi, so there is a periodic extra wrap */ -#define NEAREST_XYZ(x,y,z,sign) (\ -y += Shearing_Box_Pos_Offset * (((x)>boxHalf_X)?(1):(((x)<-boxHalf_X)?(-1):(0))),\ -y = ((y)>boxSize_Y)?((y)-boxSize_Y):(((y)<-boxSize_Y)?((y)+boxSize_Y):(y)),\ -y=((y)>boxHalf_Y)?((y)-boxSize_Y):(((y)<-boxHalf_Y)?((y)+boxSize_Y):(y)),\ -x=((x)>boxHalf_X)?((x)-boxSize_X):(((x)<-boxHalf_X)?((x)+boxSize_X):(x)),\ -z=((z)>boxHalf_Z)?((z)-boxSize_Z):(((z)<-boxHalf_Z)?((z)+boxSize_Z):(z))) - -#define NGB_PERIODIC_BOX_LONG_Y(x,y,z,sign) (\ -xtmp = y + Shearing_Box_Pos_Offset * (((x)>boxHalf_X)?(1):(((x)<-boxHalf_X)?(-1):(0))),\ -xtmp = fabs(((xtmp)>boxSize_Y)?((xtmp)-boxSize_Y):(((xtmp)<-boxSize_Y)?((xtmp)+boxSize_Y):(xtmp))),\ -(xtmp>boxHalf_Y)?(boxSize_Y-xtmp):xtmp) - -#else -/* Standard Periodic Box:: - this box-wraps all three (x,y,z) separation variables when taking position differences */ -#define NEAREST_XYZ(x,y,z,sign) (\ -x=((x)>boxHalf_X)?((x)-boxSize_X):(((x)<-boxHalf_X)?((x)+boxSize_X):(x)),\ -y=((y)>boxHalf_Y)?((y)-boxSize_Y):(((y)<-boxHalf_Y)?((y)+boxSize_Y):(y)),\ -z=((z)>boxHalf_Z)?((z)-boxSize_Z):(((z)<-boxHalf_Z)?((z)+boxSize_Z):(z))) -#define NGB_PERIODIC_BOX_LONG_Y(x,y,z,sign) (xtmp=fabs(y),(xtmp>boxHalf_Y)?(boxSize_Y-xtmp):xtmp) // normal periodic wrap // - -#endif - -#else -/* Non-periodic box:: */ -#define NEAREST_XYZ(x,y,z,sign) /* this is an empty macro: nothing will happen to the variables input here */ -#define NGB_PERIODIC_BOX_LONG_X(x,y,z,sign) (fabs(x)) -#define NGB_PERIODIC_BOX_LONG_Y(x,y,z,sign) (fabs(y)) -#define NGB_PERIODIC_BOX_LONG_Z(x,y,z,sign) (fabs(z)) -#endif - -#endif // 0 - - -/* this function, like the NEAREST and NGB_PERIODIC functions above, does -velocity wrapping- for periodic boundary - conditions. this is currently only relevant for shearing boxes, where the box ends in the '0' axis direction have - systematically different (shear-periodic instead of periodic) velocities associated, so the box needs to be able to - know how to wrap them. this takes the vector of positions of particle "i" pos_i (the particle "seeing" particle j), - particle j position pos_j, the velocity difference vector dv_ij=v_i-v_j. last dv_sign_flipped = 1 if dv_ij=v_i-v_j, - but dv_sign_flipped=-1 if dv_ij=v_j-v_i (flipped from normal order) */ -#ifdef BOX_SHEARING -#define NGB_SHEARBOX_BOUNDARY_VELCORR_(pos_i,pos_j,dv_ij,dv_sign_flipped) (dv_ij[BOX_SHEARING_PHI_COORDINATE] += dv_sign_flipped*Shearing_Box_Vel_Offset * ((pos_i[0]-pos_j[0]>boxHalf_X)?(1):((pos_i[0]-pos_j[0]<-boxHalf_X)?(-1):(0)))) -#else -#define NGB_SHEARBOX_BOUNDARY_VELCORR_(pos_i,pos_j,dv_ij,dv_sign_flipped) -#endif - -/* equivalent for shear-periodic magnetic fields */ -#ifdef BOX_SHEARING_QB -#define NGB_SHEARBOX_BOUNDARY_BCORR_(pos_i,pos_j,db_ij,db_sign_flipped) (db_ij[BOX_SHEARING_PHI_COORDINATE] += db_sign_flipped*Shearing_Box_B_Offset * ((pos_i[0]-pos_j[0]>boxHalf_X)?(1):((pos_i[0]-pos_j[0]<-boxHalf_X)?(-1):(0)))) -#else -#define NGB_SHEARBOX_BOUNDARY_BCORR_(pos_i,pos_j,db_ij,db_sign_flipped) -#endif - - -#define FACT1 0.366025403785 /* FACT1 = 0.5 * (sqrt(3)-1) */ -#define FACT2 0.86602540 /* FACT2 = 0.5 * sqrt(3) */ - - - -/*****************************************************************/ -/* Utility functions used for printing status, warning, endruns */ -/*****************************************************************/ - -#define terminate(x) {char termbuf[2000]; sprintf(termbuf, "TERMINATE issued on task=%d, function '%s()', file '%s', line %d: '%s'\n", ThisTask, __FUNCTION__, __FILE__, __LINE__, x); fflush(stdout); printf("%s", termbuf); fflush(stdout); MPI_Abort(MPI_COMM_WORLD, 1); exit(0);} -#define endrun(x) {if(x==0) {MPI_Finalize(); exit(0);} else {char termbuf[2000]; sprintf(termbuf, "ENDRUN issued on task=%d, function '%s()', file '%s', line %d: error level %d\n", ThisTask, __FUNCTION__, __FILE__, __LINE__, x); fflush(stdout); printf("%s", termbuf); fflush(stdout); MPI_Abort(MPI_COMM_WORLD, x); exit(0);}} -#define PRINT_WARNING(...) {char termbuf1[1000], termbuf2[1000]; sprintf(termbuf1, "WARNING issued on task=%d, function %s(), file %s, line %d", ThisTask, __FUNCTION__, __FILE__, __LINE__); sprintf(termbuf2, __VA_ARGS__); fflush(stdout); printf("%s: %s\n", termbuf1, termbuf2); fflush(stdout);} -#ifdef IO_REDUCED_MODE -#define PRINT_STATUS(...) {if(All.HighestActiveTimeBin == All.HighestOccupiedTimeBin) {if(ThisTask==0) {fflush(stdout); printf( __VA_ARGS__ ); printf("\n"); fflush(stdout);}}} -#else -#define PRINT_STATUS(...) {if(ThisTask==0) {fflush(stdout); printf( __VA_ARGS__ ); printf("\n"); fflush(stdout);}} -#endif - -#define MACRO_NAME_CONCATENATE(A, B) MACRO_NAME_CONCATENATE_(A, B) -#define MACRO_NAME_CONCATENATE_(A, B) A##B - - -/*********************************************************/ -/* Global variables */ -/*********************************************************/ - -extern int FirstActiveParticle; -extern int *NextActiveParticle; -extern unsigned char *ProcessedFlag; -extern int TimeBinCount[TIMEBINS]; -extern int TimeBinCountGas[TIMEBINS]; -extern int TimeBinActive[TIMEBINS]; -extern int FirstInTimeBin[TIMEBINS]; -extern int LastInTimeBin[TIMEBINS]; -extern int *NextInTimeBin; -extern int *PrevInTimeBin; -#ifdef GALSF -extern double TimeBinSfr[TIMEBINS]; -#endif - -#ifdef BLACK_HOLES -#define BH_COUNTPROGS -/* carries a counter for each BH that gives the total number of seeds that merged into it */ -#define BH_ENFORCE_EDDINGTON_LIMIT -/* put a hard limit on the maximum accretion rate (set BlackHoleEddingtonFactor>>1 to allow super-eddington) */ -extern double TimeBin_BH_mass[TIMEBINS]; -extern double TimeBin_BH_dynamicalmass[TIMEBINS]; -extern double TimeBin_BH_Mdot[TIMEBINS]; -extern double TimeBin_BH_Medd[TIMEBINS]; -#if defined(BH_PHOTONMOMENTUM) || defined(BH_WIND_CONTINUOUS) || defined(RT_BH_ANGLEWEIGHT_PHOTON_INJECTION) -#define BH_CALC_LOCAL_ANGLEWEIGHTS -#endif -#if defined(BH_GRAVCAPTURE_GAS) || defined(BH_GRAVACCRETION) || defined(BH_GRAVCAPTURE_NONGAS) || defined(BH_CALC_LOCAL_ANGLEWEIGHTS) || defined(BH_DYNFRICTION) || defined(BH_EXCISION_NONGAS) -#define BH_NEIGHBOR_BITFLAG 63 /* allow all particle types in the BH search: 63=2^0+2^1+2^2+2^3+2^4+2^5 */ -#else -#define BH_NEIGHBOR_BITFLAG 33 /* only search for particles of types 0 and 5 (gas and black holes) around a primary BH particle */ -#endif -#endif - - -extern int ThisTask; /*!< the number of the local processor */ -extern int NTask; /*!< number of processors */ -extern int PTask; /*!< note: NTask = 2^PTask */ -extern double CPUThisRun; /*!< Sums CPU time of current process */ -extern int NumForceUpdate; /*!< number of active particles on local processor in current timestep */ -extern long long GlobNumForceUpdate; -extern int NumGasUpdate; /*!< number of active gas cells on local processor in current timestep */ -extern int MaxTopNodes; /*!< Maximum number of nodes in the top-level tree used for domain decomposition */ -extern int RestartFlag; /*!< taken from command line used to start code. 0 is normal start-up from initial conditions, 1 is resuming a run from a set of restart files, while 2 marks a restart from a snapshot file. */ -extern int RestartSnapNum; -extern int SelRnd; -extern int TakeLevel; -extern int *Exportflag; /*!< Buffer used for flagging whether a particle needs to be exported to another process */ -extern int *Exportnodecount; -extern int *Exportindex; -extern int *Send_offset, *Send_count, *Recv_count, *Recv_offset; -extern size_t AllocatedBytes; -extern size_t HighMarkBytes; -extern size_t FreeBytes; -extern double CPU_Step[CPU_PARTS]; -extern char CPU_Symbol[CPU_PARTS]; -extern char CPU_SymbolImbalance[CPU_PARTS]; -extern char CPU_String[CPU_STRING_LEN + 1]; -extern double WallclockTime; /*!< This holds the last wallclock time measurement for timings measurements */ -extern int Flag_FullStep; /*!< Flag used to signal that the current step involves all particles */ -extern size_t HighMark_run, HighMark_domain, HighMark_gravtree, HighMark_pmperiodic, - HighMark_pmnonperiodic, HighMark_gasdensity, HighMark_hydro, HighMark_GasGrad; - -#ifdef TURB_DRIVING -extern size_t HighMark_turbpower; -#endif -extern int TreeReconstructFlag; -extern int GlobFlag; -extern char DumpFlag; -#ifdef WAKEUP -extern int NeedToWakeupParticles; -extern int NeedToWakeupParticles_local; -#endif - -extern int NumPart; /*!< number of particles on the LOCAL processor */ -extern int N_gas; /*!< number of gas particles on the LOCAL processor */ -#ifdef SEPARATE_STELLARDOMAINDECOMP -extern int N_stars; -#endif -#ifdef BH_WIND_SPAWN -extern double Max_Unspawned_MassUnits_fromSink; -#endif - -extern long long Ntype[6]; /*!< total number of particles of each type */ -extern int NtypeLocal[6]; /*!< local number of particles of each type */ -extern gsl_rng *random_generator; /*!< the random number generator used */ -extern int Gas_split; /*!< current number of newly-spawned gas particles outside block */ -#ifdef GALSF -extern int Stars_converted; /*!< current number of star particles in gas particle block */ -#endif - -extern double TimeOfLastTreeConstruction; /*!< holds what it says */ -extern int *Ngblist; /*!< Buffer to hold indices of neighbours retrieved by the neighbour search routines */ -extern double *R2ngblist; -extern double DomainCorner[3], DomainCenter[3], DomainLen, DomainFac; -extern int *DomainStartList, *DomainEndList; -extern double *DomainWork; -extern int *DomainCount; -extern int *DomainCountGas; -#ifdef SEPARATE_STELLARDOMAINDECOMP -extern int *DomainCountStars; -#endif -extern int *DomainTask; -extern int *DomainNodeIndex; -extern int *DomainList, DomainNumChanged; -extern peanokey *Key, *KeySorted; - - -#ifdef HERMITE_INTEGRATION -extern int HermiteOnlyFlag; /*!< flag to only do Hermite integration for applicable particles (ie. stars) in the gravity routine - set =1 on the first prediction pass and =2 on the second correction pass */ -#endif - -#ifdef RT_CHEM_PHOTOION -extern double rt_ion_nu_min[N_RT_FREQ_BINS]; -extern double rt_nu_eff_eV[N_RT_FREQ_BINS]; -extern double rt_ion_precalc_stellar_luminosity_fraction[N_RT_FREQ_BINS]; -extern double rt_ion_sigma_HI[N_RT_FREQ_BINS]; -extern double rt_ion_sigma_HeI[N_RT_FREQ_BINS]; -extern double rt_ion_sigma_HeII[N_RT_FREQ_BINS]; -extern double rt_ion_G_HI[N_RT_FREQ_BINS]; -extern double rt_ion_G_HeI[N_RT_FREQ_BINS]; -extern double rt_ion_G_HeII[N_RT_FREQ_BINS]; -#endif - -#if defined(CRFLUID_EVOLVE_SPECTRUM) /* define some global variables we will need to use semi-constantly to make reference to the CR spectra */ -extern double CR_global_min_rigidity_in_bin[N_CR_PARTICLE_BINS]; -extern double CR_global_max_rigidity_in_bin[N_CR_PARTICLE_BINS]; -extern double CR_global_rigidity_at_bin_center[N_CR_PARTICLE_BINS]; -extern double CR_global_charge_in_bin[N_CR_PARTICLE_BINS]; -extern int CR_species_ID_in_bin[N_CR_PARTICLE_BINS]; -#define N_CR_SPECTRUM_LUT 101 /*!< number of elements per bin in the look-up-tables we will pre-compute to use for inverting the energy-number relation to determine the spectral slope */ -extern double CR_global_slope_lut[N_CR_PARTICLE_BINS][N_CR_SPECTRUM_LUT]; /*!< holder for the actual look-up-tables */ -extern int CR_secondary_species_listref[N_CR_PARTICLE_SPECIES][N_CR_PARTICLE_SPECIES]; /*!< list for each type of the different secondaries to which it can decay */ -extern int CR_secondary_target_bin[N_CR_PARTICLE_BINS][N_CR_PARTICLE_SPECIES]; /*!< destination bin for the secondaries produced by different primaries */ -extern double CR_frag_secondary_coeff[N_CR_PARTICLE_BINS][N_CR_PARTICLE_SPECIES]; /*!< coefficients for fragmentation to the given secondaries (also pre-computed for simplicity) */ -extern double CR_frag_coeff[N_CR_PARTICLE_BINS]; /*!< total coefficients for fragmentation processes (pre-compute b/c cross-sections are complicated) */ -extern double CR_rad_decay_coeff[N_CR_PARTICLE_BINS]; /*!< radioactive decay coefficients (pre-computed for ease, also because of dilation dependence) */ -extern int CR_species_ID_active_list[N_CR_PARTICLE_SPECIES]; /*!< holds the list of species ids to loop over */ -#endif - - -#define SinkParticle_GravityKernelRadius (All.ForceSoftening[5]) - - -extern struct topnode_data -{ - peanokey Size; - peanokey StartKey; - long long Count; - MyFloat GravCost; - int Daughter; - int Pstart; - int Blocks; - int Leaf; -} *TopNodes; - -extern int NTopnodes, NTopleaves; -#ifdef USE_PREGENERATED_RANDOM_NUMBER_TABLE -extern double RndTable[RNDTABLE]; -#endif - -#ifdef SUBFIND -extern int GrNr; -extern int NumPartGroup; -extern struct Subfind_DensityOtherPropsEval_data_out -{ - MyOutputFloat M200, R200; -#ifdef SUBFIND_ADDIO_VELDISP - MyOutputFloat V200[3], Disp200; -#endif -#ifdef SUBFIND_ADDIO_BARYONS - MyOutputFloat gas_mass, star_mass, temp, xlum; -#endif -} -*Subfind_DensityOtherPropsEval_DataResult, *Subfind_DensityOtherPropsEval_DataOut, *Subfind_DensityOtherPropsEval_GlobalPasser; -#endif - - -/* variables for input/output , usually only used on process 0 */ - -extern char ParameterFile[100]; /*!< file name of parameterfile used for starting the simulation */ -extern FILE -#ifndef IO_REDUCED_MODE - *FdTimebin, /*!< file handle for timebin.txt log-file. */ - *FdInfo, /*!< file handle for info.txt log-file. */ - *FdEnergy, /*!< file handle for energy.txt log-file. */ - *FdTimings, /*!< file handle for timings.txt log-file. */ - *FdBalance, /*!< file handle for balance.txt log-file. */ -#ifdef RT_CHEM_PHOTOION - *FdRad, /*!< file handle for radtransfer.txt log-file. */ -#endif -#ifdef TURB_DRIVING - *FdTurb, /*!< file handle for turb.txt log-file */ -#endif -#ifdef GR_TABULATED_COSMOLOGY - *FdDE, /*!< file handle for darkenergy.txt log-file. */ -#endif -#endif - *FdCPU; /*!< file handle for cpu.txt log-file. */ -#ifdef GALSF -extern FILE *FdSfr; /*!< file handle for sfr.txt log-file. */ -#endif -#ifdef GALSF_FB_FIRE_RT_LOCALRP -extern FILE *FdMomWinds; /*!< file handle for MomWinds.txt log-file */ -#endif -#ifdef GALSF_FB_FIRE_RT_HIIHEATING -extern FILE *FdHIIHeating; /*!< file handle for HIIheating.txt log-file */ -#endif -#ifdef GALSF_FB_MECHANICAL -extern FILE *FdSneIIHeating; /*!< file handle for SNIIheating.txt log-file */ -#endif -#ifdef BLACK_HOLES -extern FILE *FdBlackHoles; /*!< file handle for blackholes.txt log-file. */ -#ifdef OUTPUT_SINK_ACCRETION_HIST -extern FILE *FdBhSwallowDetails; -#endif -#if defined(SINGLE_STAR_FB_SNE) && defined(SINGLE_STAR_STARFORGE_PROTOSTELLAR_EVOLUTION) -extern FILE *FdBhSNDetails; -#endif -#ifdef OUTPUT_SINK_FORMATION_PROPS -extern FILE *FdBhFormationDetails; -#endif -#if !defined(IO_REDUCED_MODE) || defined(BH_OUTPUT_MOREINFO) -extern FILE *FdBlackHolesDetails; -#ifdef BH_OUTPUT_MOREINFO -extern FILE *FdBhMergerDetails; -#ifdef BH_WIND_KICK -extern FILE *FdBhWindDetails; -#endif -#endif -#endif -#endif - - -#if defined(COOLING) && defined(GALSF_EFFECTIVE_EQS) -#ifndef COOLING_OPERATOR_SPLIT -#define COOLING_OPERATOR_SPLIT /*!< the Springel-Hernquist EOS depends explicitly on the cooling time in a way that requires de-coupled hydro cooling */ -#endif -#endif - -extern double DriftTable[DRIFT_TABLE_LENGTH]; /*! table for the cosmological drift factors */ -extern double GravKickTable[DRIFT_TABLE_LENGTH]; /*! table for the cosmological kick factor for gravitational forces */ -extern void *CommBuffer; /*!< points to communication buffer, which is used at a few places */ - -/*! This structure contains data which is the SAME for all tasks (mostly code parameters read from the - * parameter file). Holding this data in a structure is convenient for writing/reading the restart file, and - * it allows the introduction of new global variables in a simple way. The only thing to do is to introduce - * them into this structure. - */ -extern struct global_data_all_processes -{ - long long TotNumPart; /*!< total particle numbers (global value) */ - long long TotN_gas; /*!< total gas particle number (global value) */ - -#ifdef BLACK_HOLES - int TotBHs; -#endif - -#if defined(DM_SIDM) - MyDouble DM_InteractionCrossSection; /*!< self-interaction cross-section in [cm^2/g]*/ - MyDouble DM_DissipationFactor; /*!< dimensionless parameter governing efficiency of dissipation (1=dissipative, 0=elastic) */ - MyDouble DM_KickPerCollision; /*!< for exo-thermic DM reactions, this determines the energy gain 'per event': kick in code units (equivalent to specific energy) associated 'per event' */ - MyDouble DM_InteractionVelocityScale; /*!< scale above which the scattering becomes velocity-dependent */ -#endif - - int MaxPart; /*!< This gives the maxmimum number of particles that can be stored on one processor. */ - int MaxPartGas; /*!< This gives the maxmimum number of gas cells that can be stored on one processor. */ - int ICFormat; /*!< selects different versions of IC file-format */ - int SnapFormat; /*!< selects different versions of snapshot file-formats */ - int NumFilesPerSnapshot; /*!< number of files in multi-file snapshot dumps */ - int NumFilesWrittenInParallel; /*!< maximum number of files that may be written simultaneously when writing/reading restart-files, or when writing snapshot files */ - double BufferSize; /*!< size of communication buffer in MB */ - long BunchSize; /*!< number of particles fitting into the buffer in the parallel tree algorithm */ - - double PartAllocFactor; /*!< in order to maintain work-load balance, the particle load will usually - NOT be balanced. Each processor allocates memory for PartAllocFactor times - the average number of particles to allow for that */ - - double TreeAllocFactor; /*!< Each processor allocates a number of nodes which is TreeAllocFactor times - the maximum(!) number of particles. Note: A typical local tree for N - particles needs usually about ~0.65*N nodes. */ - - double TopNodeAllocFactor; /*!< Each processor allocates a number of nodes which is TreeAllocFactor times - the maximum(!) number of particles. Note: A typical local tree for N - particles needs usually about ~0.65*N nodes. */ - -#ifdef DM_SCALARFIELD_SCREENING - double ScalarBeta; - double ScalarScreeningLength; -#endif - - /* some gas/fluid arbitrary-mesh parameters */ - double DesNumNgb; /*!< Desired number of gas cell neighbours */ -#ifdef SUBFIND - int DesLinkNgb; /*! < Number of neighbors used for linking and density estimation in SUBFIND */ -#endif - - double MaxNumNgbDeviation; /*!< Maximum allowed deviation neighbour number */ - double ArtBulkViscConst; /*!< Sets the parameter \f$\alpha\f$ of the artificial viscosity */ - double InitGasTemp; /*!< may be used to set the temperature in the IC's */ - double InitGasU; /*!< the same, but converted to thermal energy per unit mass */ - double MinGasTemp; /*!< may be used to set a floor for the gas temperature */ -#ifdef CHIMES - int ChimesThermEvolOn; /*!< Flag to determine whether to evolve the temperature in CHIMES. */ -#ifdef CHIMES_STELLAR_FLUXES - double Chimes_f_esc_ion; - double Chimes_f_esc_G0; -#endif -#endif // CHIMES - - double MinEgySpec; /*!< the minimum allowed temperature expressed as energy per unit mass */ -#ifdef SPHAV_ARTIFICIAL_CONDUCTIVITY - double ArtCondConstant; -#endif - -#ifdef PM_HIRES_REGION_CLIPDM - double MassOfClippedDMParticles; /*!< the mass of high-res DM particles which the low-res particles will target if they enter the highres region */ -#endif -#ifdef SINGLE_STAR_SINK_DYNAMICS - double MeanGasParticleMass; /*!< the mean gas particle mass */ -#endif - double MinMassForParticleMerger; /*!< the minimum mass of a gas particle below which it will be merged into a neighbor */ - double MaxMassForParticleSplit; /*!< the maximum mass of a gas particle above which it will be split into a pair */ - - /* some force counters */ - long long TotNumOfForces; /*!< counts total number of force computations */ - long long NumForcesSinceLastDomainDecomp; /*!< count particle updates since last domain decomposition */ - - /* some variable for dynamic work-load adjustment based on CPU measurements */ - double cf_atime, cf_a2inv, cf_a3inv, cf_afac1, cf_afac2, cf_afac3, cf_hubble_a, cf_hubble_a2; /* various cosmological factors that are only a function of the current scale factor, and in Newtonian runs are set to 1 */ - - /* system of units */ - double UnitMass_in_g, /*!< factor to convert internal mass unit to grams/h */ - UnitVelocity_in_cm_per_s, /*!< factor to convert intqernal velocity unit to cm/sec */ - UnitLength_in_cm, /*!< factor to convert internal length unit to cm/h */ - G; /*!< Gravity-constant in internal units */ - -#ifdef MAGNETIC - double UnitMagneticField_in_gauss; /*!< factor to convert internal magnetic field (B) unit to gauss (cgs) units */ -#endif - - /* Cosmology */ - double Hubble_H0_CodeUnits; /*!< Hubble-constant (unit-ed version: 100 km/s/Mpc) in internal units */ - double OmegaMatter, /*!< matter density in units of the critical density (at z=0) */ - OmegaLambda, /*!< vaccum energy density relative to crictical density (at z=0) */ - OmegaBaryon, /*!< baryon density in units of the critical density (at z=0) */ - OmegaRadiation, /*!< radiation [including all relativistic components] density in units of the critical density (at z=0) */ - HubbleParam; /*!< little `h', i.e. Hubble constant in units of 100 km/s/Mpc. Only needed to get absolute physical values for cooling physics */ - - double BoxSize; /*!< Boxsize in case periodic boundary conditions are used */ - - - /* Code options */ - - int ComovingIntegrationOn; /*!< flags that comoving integration is enabled */ - int ResubmitOn; /*!< flags that automatic resubmission of job to queue system is enabled */ - int TypeOfOpeningCriterion; /*!< determines tree cell-opening criterion: 0 for Barnes-Hut, 1 for relative criterion */ - int OutputListOn; /*!< flags that output times are listed in a specified file */ - - int HighestActiveTimeBin; - int HighestOccupiedTimeBin; - - /* parameters determining output frequency */ - - int SnapshotFileCount; /*!< number of snapshot that is written next */ - double TimeBetSnapshot, /*!< simulation time interval between snapshot files */ - TimeOfFirstSnapshot, /*!< simulation time of first snapshot files */ - CpuTimeBetRestartFile, /*!< cpu-time between regularly generated restart files */ - TimeLastRestartFile, /*!< cpu-time when last restart-file was written */ - TimeBetStatistics, /*!< simulation time interval between computations of energy statistics */ - TimeLastStatistics; /*!< simulation time when the energy statistics was computed the last time */ - integertime NumCurrentTiStep; /*!< counts the number of system steps taken up to this point */ - - /* Current time of the simulation, global step, and end of simulation */ - - double Time, /*!< current time of the simulation */ - TimeBegin, /*!< time of initial conditions of the simulation */ - TimeStep, /*!< difference between current times of previous and current timestep */ - TimeMax; /*!< marks the point of time until the simulation is to be evolved */ - - /* variables for organizing discrete timeline */ - - double Timebase_interval; /*!< factor to convert from floating point time interval to integer timeline */ - integertime Ti_Current; /*!< current time on integer timeline */ - integertime Previous_Ti_Current; - integertime Ti_nextoutput; /*!< next output time on integer timeline */ - integertime Ti_lastoutput; - -#ifdef PMGRID - integertime PM_Ti_endstep, PM_Ti_begstep; - double Asmth[2], Rcut[2]; - double Corner[2][3], UpperCorner[2][3], Xmintot[2][3], Xmaxtot[2][3]; - double TotalMeshSize[2]; -#endif - - integertime Ti_nextlineofsight; -#ifdef OUTPUT_LINEOFSIGHT - double TimeFirstLineOfSight; -#endif - - int CPU_TimeBinCountMeasurements[TIMEBINS]; - double CPU_TimeBinMeasurements[TIMEBINS][NUMBER_OF_MEASUREMENTS_TO_RECORD]; - int LevelToTimeBin[GRAVCOSTLEVELS]; - - /* variables that keep track of cumulative CPU consumption */ - double TimeLimitCPU; - double CPU_Sum[CPU_PARTS]; /*!< sums wallclock time/CPU consumption in whole run */ - - /* tree code opening criterion */ - double ErrTolTheta; /*!< BH tree opening angle */ - double ErrTolForceAcc; /*!< parameter for relative opening criterion in tree walk */ - - /* adjusts accuracy of time-integration */ - double ErrTolIntAccuracy; /*!< accuracy tolerance parameter \f$ \eta \f$ for timestep criterion. The timesteps is \f$ \Delta t = \sqrt{\frac{2 \eta eps}{a}} \f$ */ - double MinSizeTimestep, /*!< minimum allowed timestep. Normally, the simulation terminates if the timestep determined by the timestep criteria falls below this limit. */ - MaxSizeTimestep; /*!< maximum allowed timestep */ - double MaxRMSDisplacementFac; /*!< this determines a global timestep criterion for cosmological simulations in comoving coordinates. To this end, the code computes the rms velocity - of all particles, and limits the timestep such that the rms displacement is a fraction of the mean particle separation (determined from the particle mass and the cosmological parameters). This parameter specifies this fraction. */ - int MaxMemSize; - double CourantFac; /*!< Courant factor */ - - /* frequency of tree reconstruction/domain decomposition */ - double TreeDomainUpdateFrequency; /*!< controls frequency of domain decompositions */ - - /* gravitational and hydrodynamical softening lengths (given in terms of an `equivalent' Plummer softening length) - * five groups of particles are supported 0=gas,1=halo,2=disk,3=bulge,4=stars */ - double MinGasHsmlFractional; /*!< minimim allowed gas kernel length relative to force softening (what you actually set) */ - double MinHsml; /*!< minimum allowed gas kernel length */ - double MaxHsml; /*!< minimum allowed gas kernel length */ - - double SofteningGas, /*!< for type 0 */ - SofteningHalo, /*!< for type 1 */ - SofteningDisk, /*!< for type 2 */ - SofteningBulge, /*!< for type 3 */ - SofteningStars, /*!< for type 4 */ - SofteningBndry; /*!< for type 5 */ - - double SofteningGasMaxPhys, /*!< for type 0 */ - SofteningHaloMaxPhys, /*!< for type 1 */ - SofteningDiskMaxPhys, /*!< for type 2 */ - SofteningBulgeMaxPhys, /*!< for type 3 */ - SofteningStarsMaxPhys, /*!< for type 4 */ - SofteningBndryMaxPhys; /*!< for type 5 */ - - double ForceSoftening[6]; /*!< current (comoving) gravitational softening lengths for each particle type -- multiplied by a factor 1/KERNEL_FAC_FROM_FORCESOFT_TO_PLUMMER to define the maximum kernel extent - at that scale the force is Newtonian */ - - /*! If particle masses are all equal for one type, the corresponding entry in MassTable is set to this value, * allowing the size of the snapshot files to be reduced */ - double MassTable[6]; - - /* some filenames */ - char InitCondFile[100], - OutputDir[100], - SnapshotFileBase[100], - RestartFile[100], ResubmitCommand[100], OutputListFilename[100]; - /* EnergyFile[100], CpuFile[100], InfoFile[100], TimingsFile[100], TimebinFile[100], */ -#ifdef COOL_GRACKLE - char GrackleDataFile[100]; -#endif - /*! table with desired output times */ - double OutputListTimes[MAXLEN_OUTPUTLIST]; - char OutputListFlag[MAXLEN_OUTPUTLIST]; - int OutputListLength; /*!< number of times stored in table of desired output times */ - -#ifdef TURB_DRIVING - double TurbInjectedEnergy; - double TurbDissipatedEnergy; -#if defined(TURB_DRIVING_SPECTRUMGRID) - double TimeBetTurbSpectrum; - double TimeNextTurbSpectrum; - int FileNumberTurbSpectrum; -#endif -#endif - -#ifdef RADTRANSFER - integertime Radiation_Ti_begstep; - integertime Radiation_Ti_endstep; -#endif -#ifdef RT_EVOLVE_INTENSITIES - double Rad_Intensity_Direction[N_RT_INTENSITY_BINS][3]; -#endif - -#if (defined(SINGLE_STAR_FB_SNE) && defined(SINGLE_STAR_STARFORGE_PROTOSTELLAR_EVOLUTION)) || defined(SINGLE_STAR_FB_SNE_N_EJECTA_QUADRANT) - double SN_Ejecta_Direction[SINGLE_STAR_FB_SNE_N_EJECTA][3]; -#endif - -#if defined(RT_CHEM_PHOTOION) && !(defined(GALSF_FB_FIRE_RT_HIIHEATING) || defined(GALSF)) - double IonizingLuminosityPerSolarMass_cgs; - double star_Teff; -#endif - -#ifdef RT_ISRF_BACKGROUND - double InterstellarRadiationFieldStrength; - double RadiationBackgroundRedshift; -#endif -#ifdef RT_INFRARED - double InitRadiationTemp; -#endif - -#ifdef RT_LEBRON - double PhotonMomentum_Coupled_Fraction; -#ifdef GALSF_FB_FIRE_RT_LONGRANGE - double PhotonMomentum_fUV; - double PhotonMomentum_fOPT; -#endif -#endif -#ifdef BH_PHOTONMOMENTUM - double BH_Rad_MomentumFactor; -#endif - -#ifdef GRAIN_FLUID -#define GRAIN_PTYPES 8 /* default to allowed particle type for grains == 3, only, but can make this a more extended list as desired */ -#ifdef GRAIN_RDI_TESTPROBLEM -#if(NUMDIMS==3) -#define GRAV_DIRECTION_RDI 2 -#else -#define GRAV_DIRECTION_RDI 1 -#endif - double Grain_Charge_Parameter; - double Dust_to_Gas_Mass_Ratio; - double Vertical_Gravity_Strength; - double Vertical_Grain_Accel; - double Vertical_Grain_Accel_Angle; -#ifdef BOX_SHEARING - double Pressure_Gradient_Accel; -#endif -#ifdef RT_OPACITY_FROM_EXPLICIT_GRAINS - double Grain_Q_at_MaxGrainSize; -#endif -#endif // GRAIN_RDI_TESTPROBLEM - double Grain_Internal_Density; - double Grain_Size_Min; - double Grain_Size_Max; - double Grain_Size_Spectrum_Powerlaw; -#endif -#if defined(RT_OPACITY_FROM_EXPLICIT_GRAINS) && defined(RT_GENERIC_USER_FREQ) - double Grain_Absorbed_Fraction_vs_Total_Extinction; -#endif - -#ifdef PIC_MHD - double PIC_Charge_to_Mass_Ratio; -#endif - -#ifdef COSMIC_RAY_FLUID - double CosmicRayDiffusionCoeff; -#endif - -#ifdef GDE_DISTORTIONTENSOR - /* present day velocity dispersion of DM particle in cm/s (e.g. Neutralino = 0.03 cm/s) */ - double DM_velocity_dispersion; -#ifdef GDE_LEAN - double GDEInitStreamDensity; -#endif -#endif - -#ifdef GALSF /* star formation and feedback sector */ - double CritOverDensity; - double CritPhysDensity; - double OverDensThresh; - double PhysDensThresh; - double MaxSfrTimescale; - -#ifdef GALSF_EFFECTIVE_EQS - double EgySpecSN; - double FactorSN; - double EgySpecCold; - double FactorEVP; - double FeedbackEnergy; - double TempSupernova; - double TempClouds; - double FactorForSofterEQS; -#endif - -#ifdef GALSF_FB_FIRE_RT_LOCALRP - double RP_Local_Momentum_Renormalization; -#endif - -#ifdef GALSF_SUBGRID_WINDS -#ifndef GALSF_SUBGRID_WIND_SCALING -#define GALSF_SUBGRID_WIND_SCALING 0 // default to constant-velocity winds // -#endif - double WindEfficiency; - double WindEnergyFraction; - double WindFreeTravelMaxTimeFactor; /* maximum free travel time in units of the Hubble time at the current simulation redshift */ - double WindFreeTravelDensFac; -#if (GALSF_SUBGRID_WIND_SCALING>0) - double VariableWindVelFactor; /* wind velocity in units of the halo escape velocity */ - double VariableWindSpecMomentum; /* momentum available for wind per unit mass of stars formed, in internal velocity units */ -#endif -#endif // GALSF_SUBGRID_WINDS // - -#ifdef GALSF_FB_FIRE_STELLAREVOLUTION - double SNe_Energy_Renormalization; - double StellarMassLoss_Rate_Renormalization; - double StellarMassLoss_Energy_Renormalization; -#if defined(COSMIC_RAY_FLUID) || defined(COSMIC_RAY_SUBGRID_LEBRON) -#define CR_DYNAMICAL_INJECTION_IN_SNE - double CosmicRay_SNeFraction; -#endif -#endif -#ifdef GALSF_FB_FIRE_RT_HIIHEATING - double HIIRegion_fLum_Coupled; -#endif - -#ifdef GALSF_FB_FIRE_AGE_TRACERS - double AgeTracerRateNormalization; /* Determines Fraction of time to do age tracer deposition (with checks depending on time bin width for current star) */ -#ifdef GALSF_FB_FIRE_AGE_TRACERS_CUSTOM - double AgeTracerTimeBins[NUM_AGE_TRACERS+1]; /* Bin edges (left) for stellar age passive scalar tracers when using custom (uneven) bins the final value is the right edge of the final bin, hence a total size +1 the number of tracers */ - char AgeTracerListFilename[100]; /* file name to read ages from (in Myr) as a single column */ -#else - double AgeTracerBinStart; /* left bin edge of first age tracers (Myr) - for log spaced bins */ - double AgeTracerBinEnd; /* right bin edge of last age tracer (Myr) - for log spaced bins */ -#endif -#endif - -#endif // GALSF - -#ifdef GALSF_LIMIT_FBTIMESTEPS_FROM_BELOW - double Dt_Since_LastFBCalc_Gyr; // time since last feedback event occurred, needs to be set - double Dt_Min_Between_FBCalc_Gyr; // minimum timestep to enforce between feedback calculations, for optimization -#endif - -#if (defined(GALSF) && defined(METALS)) || defined(COOL_METAL_LINES_BY_SPECIES) || defined(GALSF_FB_FIRE_RT_LOCALRP) || defined(GALSF_FB_FIRE_RT_HIIHEATING) || defined(GALSF_FB_MECHANICAL) || defined(GALSF_FB_FIRE_RT_LONGRANGE) || defined(GALSF_FB_THERMAL) -#define INIT_STELLAR_METALS_AGES_DEFINED // convenience flag for later to know these variables exist - double InitMetallicityinSolar; - double InitStellarAgeinGyr; -#endif - -#if defined(BH_WIND_CONTINUOUS) || defined(BH_WIND_KICK) || defined(BH_WIND_SPAWN) - double BAL_f_accretion; - double BAL_v_outflow; -#endif - -#if defined(SINGLE_STAR_FB_JETS) - double BAL_f_launch_v; // scales the amount of accretion power going into jets, we eject (1-All.BAL_f_accretion) fraction of the accreted mass at this value times the Keplerian velocity at the protostellar radius. If set to 1 then the mass and power loading of the jets are both (1-All.BAL_f_accretion) -#endif - -#if defined(BH_COSMIC_RAYS) - double BH_CosmicRay_Injection_Efficiency; -#endif - -#ifdef COSMIC_RAY_SUBGRID_LEBRON - double CosmicRay_Subgrid_Vstream_0; - double CosmicRay_Subgrid_Kappa_0; -#endif - - -#if defined(RADTRANSFER) || defined(RT_USE_GRAVTREE) - double RHD_bins_nu_min_ev[N_RT_FREQ_BINS]; /* minimum frequency of the radiation 'bin' in eV */ - double RHD_bins_nu_max_ev[N_RT_FREQ_BINS]; /* maximum frequency of the radiation 'bin' in eV */ -#endif - -#ifdef METALS - double SolarAbundances[NUM_METAL_SPECIES]; -#ifdef COOL_METAL_LINES_BY_SPECIES - int SpeciesTableInUse; -#endif -#endif - - -#if defined(GALSF_ISMDUSTCHEM_MODEL) - double Initial_ISMDustChem_Depletion; /* initial depletion for silicate dust species if defined */ - double Initial_ISMDustChem_SiliconToCarbonRatio; /* sets rough mass ratio between silicates are carbonaceous dust for given initial depletion */ - double ISMDustChem_AtomicMassTable[NUM_ISMDUSTCHEM_ELEMENTS]; /* atomic mass for each element in metallicity field */ - double ISMDustChem_SNeSputteringShutOffTime; /* amount of time to turn off thermal sputtering after SNe event to avoid double counting dust destruction */ - int ISMDustChem_SilicateMetallicityFieldIndexTable[GALSF_ISMDUSTCHEM_VAR_ELEM_IN_SILICATES]; /* index in metallicity field for elements which make up silicate dust (O, Mg, Si, and possibly Fe) */ - double ISMDustChem_SilicateNumberOfAtomsTable[GALSF_ISMDUSTCHEM_VAR_ELEM_IN_SILICATES]; /* number of O, Mg, Si, and possibly Fe in one formula unit of silicate dust */ - double ISMDustChem_EffectiveSilicateDustAtomicWeight; /* atomic weight of one formula unit of silicate dust, depends on which optional module you use */ -#endif - - -#ifdef GR_TABULATED_COSMOLOGY - double DarkEnergyConstantW; /*!< fixed w for equation of state */ -#if defined(GR_TABULATED_COSMOLOGY_W) || defined(GR_TABULATED_COSMOLOGY_G) || defined(GR_TABULATED_COSMOLOGY_H) -#ifndef GR_TABULATED_COSMOLOGY_W -#define GR_TABULATED_COSMOLOGY_W -#endif - char TabulatedCosmologyFile[100]; /*!< tabulated parameters for expansion and/or gravity */ -#ifdef GR_TABULATED_COSMOLOGY_G - double Gini; -#endif -#endif -#endif - -#ifdef RESCALEVINI - double VelIniScale; /*!< Scale the initial velocities by this amount */ -#endif - -#ifdef SPHAV_CD10_VISCOSITY_SWITCH - double ViscosityAMin; - double ViscosityAMax; -#endif - -#ifdef TURB_DIFFUSION - double TurbDiffusion_Coefficient; -#ifdef TURB_DIFF_DYNAMIC - double TurbDynamicDiffFac; - int TurbDynamicDiffIterations; - double TurbDynamicDiffSmoothing; - double TurbDynamicDiffMax; -#endif -#endif - -#if defined(CONDUCTION) - double ConductionCoeff; /*!< Thermal Conductivity */ -#endif - -#if defined(VISCOSITY) - double ShearViscosityCoeff; - double BulkViscosityCoeff; -#endif - -#if defined(CONDUCTION_SPITZER) || defined(VISCOSITY_BRAGINSKII) - double ElectronFreePathFactor; /*!< Factor to get electron mean free path */ -#endif - -#ifdef MAGNETIC -#ifdef MHD_B_SET_IN_PARAMS - double BiniX, BiniY, BiniZ; /*!< Initial values for B */ -#endif -#ifdef SPH_TP12_ARTIFICIAL_RESISTIVITY - double ArtMagDispConst; /*!< Sets the parameter \f$\alpha\f$ of the artificial magnetic disipation */ -#endif -#ifdef DIVBCLEANING_DEDNER - double FastestWaveSpeed; - double FastestWaveDecay; - double DivBcleanParabolicSigma; - double DivBcleanHyperbolicSigma; -#endif -#endif /* MAGNETIC */ - -#if (defined(BLACK_HOLES) || defined(GALSF_SUBGRID_WINDS)) && defined(FOF) - double TimeNextOnTheFlyFoF; - double TimeBetOnTheFlyFoF; -#endif - -#ifdef BLACK_HOLES - double BlackHoleAccretionFactor; /*!< Fraction of BH bondi accretion rate */ - double BlackHoleFeedbackFactor; /*!< Fraction of the black luminosity feed into thermal feedback */ - double SeedBlackHoleMass; /*!< Seed black hole mass */ -#if defined(BH_SEED_FROM_FOF) || defined(BH_SEED_FROM_LOCALGAS) - double SeedBlackHoleMassSigma; /*!< Standard deviation of init black hole masses */ - double SeedBlackHoleMinRedshift; /*!< Minimum redshift where BH seeds are allowed */ -#ifdef BH_SEED_FROM_LOCALGAS - double SeedBlackHolePerUnitMass; /*!< Defines probability per unit mass of seed BH forming */ -#endif -#endif -#ifdef BH_ALPHADISK_ACCRETION - double SeedAlphaDiskMass; /*!< Seed alpha disk mass */ -#endif -#ifdef BH_WIND_SPAWN - double BAL_wind_particle_mass; /*!< target mass for feedback particles to be spawned */ - double BAL_internal_temperature; - MyIDType AGNWindID; -#ifdef SINGLE_STAR_FB_WINDS - double Cell_Spawn_Mass_ratio_MS; /*!< target mass for feedback particles to be spawned for main sequence winds in STARFORGE*/ -#endif -#endif -#ifdef BH_SEED_FROM_FOF - double MinFoFMassForNewSeed; /*!< Halo mass required before new seed is put in */ -#endif - double BlackHoleNgbFactor; /*!< Factor by which the gas neighbour count should be increased/decreased */ - double BlackHoleMaxAccretionRadius; - double BlackHoleEddingtonFactor; /*!< Factor above Eddington */ - double BlackHoleRadiativeEfficiency; /**< Radiative efficiency determined by the spin value, default value is 0.1 */ -#endif - -#if defined(EOS_TILLOTSON) || defined(EOS_ELASTIC) - double Tillotson_EOS_params[7][12]; /*! < holds parameters for Tillotson EOS for solids */ -#endif - -#ifdef EOS_TABULATED - char EosTable[100]; -#endif - -#ifdef SINGLE_STAR_AND_SSP_NUCLEAR_ZOOM -#if !(CHECK_IF_PREPROCESSOR_HAS_NUMERICAL_VALUE_(SINGLE_STAR_AND_SSP_NUCLEAR_ZOOM)) // allow to be set to integer value to represent a >1 number of special zoom sites -#undef SINGLE_STAR_AND_SSP_NUCLEAR_ZOOM -#define SINGLE_STAR_AND_SSP_NUCLEAR_ZOOM (1) -#endif - double SMBH_SpecialParticle_Position_ForRefinement[SINGLE_STAR_AND_SSP_NUCLEAR_ZOOM][3]; - double Mass_Accreted_By_SpecialSMBHParticle[SINGLE_STAR_AND_SSP_NUCLEAR_ZOOM]; - double Mass_of_SpecialSMBHParticle[SINGLE_STAR_AND_SSP_NUCLEAR_ZOOM]; -#endif - -#ifdef NUCLEAR_NETWORK - char EosSpecies[100]; - char NetworkRates[100]; - char NetworkPartFunc[100]; - char NetworkMasses[100]; - char NetworkWeakrates[100]; - struct network_data nd; - struct network_workspace nw; - double NetworkTempThreshold; -#endif - -#ifdef AGS_HSML_CALCULATION_IS_ACTIVE - double AGS_DesNumNgb; - double AGS_MaxNumNgbDeviation; -#endif - -#ifdef DM_FUZZY - double ScalarField_hbar_over_mass; -#endif - -#ifdef TURB_DRIVING - double TurbDriving_Global_DecayTime; - double TurbDriving_Global_AccelerationPowerVariable; - double TurbDriving_Global_DtTurbUpdates; - double TurbDriving_Global_DrivingScaleKMinVar; - double TurbDriving_Global_DrivingScaleKMaxVar; - double TurbDriving_Global_SolenoidalFraction; - int TurbDriving_Global_DrivingSpectrumKey; - int TurbDriving_Global_DrivingRandomNumberKey; -#endif - -#if defined(COOLING) && defined(COOL_GRACKLE) - code_units GrackleUnits; -#endif - -#if defined(BH_WIND_SPAWN_SET_BFIELD_POLTOR) - double BH_spawn_rinj; - double B_spawn_pol; - double B_spawn_tor; -#endif -#ifdef BH_WIND_SPAWN_SET_JET_PRECESSION - double BH_jet_precess_degree; - double BH_jet_precess_period; -#endif -#ifdef BH_DEBUG_FIX_MDOT_MBH - double BH_fb_duty_cycle; - double BH_fb_period; -#endif - -} -All; - - - -/*! This structure holds all the information that is - * stored for each particle of the simulation. - */ -extern ALIGN(32) struct particle_data -{ - short int Type; /*!< flags particle type. 0=gas, 1=halo/high-res dm, 2=alt dm/disk/collisionless, 3=pic/dust/bulge/alt dm, 4=new stars, 5=sink */ - short int TimeBin; - MyIDType ID; /*! < unique ID of particle (assigned at beginning of the simulation) */ - MyIDType ID_child_number; /*! < child number for particles 'split' from main (retain ID, get new child number) */ -#ifndef BH_WIND_SPAWN - int ID_generation; /*! < generation (need to track for particle-splitting to ensure each 'child' gets a unique child number */ -#else - MyIDType ID_generation; -#endif - - integertime Ti_begstep; /*!< marks start of current timestep of particle on integer timeline */ - integertime Ti_current; /*!< current time of the particle */ - - ALIGN(32) MyDouble Pos[3]; /*!< particle position at its current time */ - MyDouble Mass; /*!< particle mass */ - - MyDouble Vel[3]; /*!< particle velocity at its current time */ - MyDouble dp[3]; - MyFloat Particle_DivVel; /*!< velocity divergence of neighbors (for predict step) */ - - MyDouble GravAccel[3]; /*!< particle acceleration due to gravity */ -#ifdef PMGRID - MyFloat GravPM[3]; /*!< particle acceleration due to long-range PM gravity force */ -#endif - MyFloat OldAcc; /*!< magnitude of old gravitational force. Used in relative opening criterion */ -#ifdef HERMITE_INTEGRATION - MyFloat Hermite_OldAcc[3]; - MyFloat OldPos[3]; - MyFloat OldVel[3]; - MyFloat OldJerk[3]; - short int AccretedThisTimestep; /*!< flag to decide whether to stick with the KDK step for stability reasons, e.g. when actively accreting */ -#endif -#ifdef COUNT_MASS_IN_GRAVTREE - MyFloat TreeMass; /*!< Mass seen by the particle as it sums up the gravitational force from the tree - should be equal to total mass, a useful debug diagnostic */ -#endif -#if defined(EVALPOTENTIAL) || defined(COMPUTE_POTENTIAL_ENERGY) || defined(OUTPUT_POTENTIAL) - MyFloat Potential; /*!< gravitational potential */ -#if defined(EVALPOTENTIAL) && defined(PMGRID) - MyFloat PM_Potential; -#endif -#endif -#if defined(GALSF_SFR_TIDAL_HILL_CRITERION) || defined(TIDAL_TIMESTEP_CRITERION) || defined(GDE_DISTORTIONTENSOR) || defined(COMPUTE_JERK_IN_GRAVTREE) || defined(OUTPUT_TIDAL_TENSOR) || (defined(SINGLE_STAR_TIMESTEPPING) && (SINGLE_STAR_TIMESTEPPING > 0)) || defined(ADAPTIVE_GRAVSOFT_FROM_TIDAL_CRITERION) -#define COMPUTE_TIDAL_TENSOR_IN_GRAVTREE - double tidal_tensorps[3][3]; /*!< tidal tensor (=second derivatives of grav. potential) */ -#ifdef ADAPTIVE_GRAVSOFT_FROM_TIDAL_CRITERION - double tidal_tensor_mag_prev; /*!< saved frobenius norm of the tidal tensor, from the previous timestep >*/ - double tidal_tensorps_prevstep[3][3]; /*!< save the entire tensor if this is active >*/ - double tidal_zeta; /*!< also need to calculate an analog of the ags zeta variable here >*/ -#endif -#ifdef PMGRID - double tidal_tensorpsPM[3][3]; /*!< for TreePM simulations, long range tidal field */ -#endif -#endif - -#ifdef ADAPTIVE_TREEFORCE_UPDATE - MyFloat time_since_last_treeforce; - MyFloat tdyn_step_for_treeforce; -#ifndef COMPUTE_JERK_IN_GRAVTREE -#define COMPUTE_JERK_IN_GRAVTREE -#endif -#endif - -#ifdef COMPUTE_JERK_IN_GRAVTREE - double GravJerk[3]; -#endif -#ifdef GDE_DISTORTIONTENSOR - MyBigFloat distortion_tensorps[6][6]; /*!< phase space distortion tensor */ - MyBigFloat last_determinant; /*!< last real space distortion tensor determinant */ - MyBigFloat stream_density; /*!< physical stream density that is going to be integrated */ - float caustic_counter; /*!< caustic counter */ -#ifndef GDE_LEAN - MyBigFloat annihilation; /*!< integrated annihilation rate */ - MyBigFloat analytic_annihilation; /*!< analytically integrated annihilation rate */ - MyBigFloat rho_normed_cutoff_current; /*!< current and last normed_cutoff density in rho_max/rho_init * sqrt(sigma) */ - MyBigFloat rho_normed_cutoff_last; - MyBigFloat s_1_current, s_2_current, s_3_current; /*! < current and last stretching factor */ - MyBigFloat s_1_last, s_2_last, s_3_last; - MyBigFloat second_deriv_current; /*! < current and last second derivative */ - MyBigFloat second_deriv_last; - double V_matrix[3][3]; /*!< initial orientation of CDM sheet the particle is embedded in */ - float init_density; /*!< initial stream density */ - float analytic_caustics; /*!< number of caustics that were integrated analytically */ - float a0; -#endif -#ifdef OUTPUT_GDE_LASTCAUSTIC - MyFloat lc_Time; /*!< time of caustic passage */ - MyFloat lc_Pos[3]; /*!< position of caustic */ - MyFloat lc_Vel[3]; /*!< particle velocity when passing through caustic */ - MyFloat lc_rho_normed_cutoff; /*!< normed_cutoff density at caustic */ - MyFloat lc_Dir_x[3]; /*!< principal axis frame of smear out */ - MyFloat lc_Dir_y[3]; - MyFloat lc_Dir_z[3]; - MyFloat lc_smear_x; /*!< smear out length */ - MyFloat lc_smear_y; - MyFloat lc_smear_z; -#endif -#endif // GDE_DISTORTIONTENSOR // - -#ifdef GALSF - MyFloat StellarAge; /*!< formation time of star particle */ -#endif -#ifdef METALS - MyFloat Metallicity[NUM_METAL_SPECIES]; /*!< metallicity (species-by-species) of gas or star particle */ -#endif -#ifdef GALSF_SFR_IMF_VARIATION - MyFloat IMF_Mturnover; /*!< IMF turnover mass [in solar] (or any other parameter which conveniently describes the IMF) */ - MyFloat IMF_FormProps[N_IMF_FORMPROPS]; /*!< formation properties of star particles to record for output */ -#endif -#ifdef GALSF_SFR_IMF_SAMPLING - MyFloat IMF_NumMassiveStars; /*!< number of massive stars to associate with this star particle (for feedback) */ -#ifdef GALSF_SFR_IMF_SAMPLING_DISTRIBUTE_SF - MyFloat TimeDistribOfStarFormation; /*!< free-fall time at the moment of star formation, which defines for this particle the delay distribution for forming the relevant O-stars */ - MyFloat IMF_WeightedMeanStellarFormationTime; /*!< weighted mean stellar formation time, to use instead of the normal stellarage parameter on-the-fly */ -#endif -#endif - - MyFloat Hsml; /*!< search radius around particle for neighbors/interactions */ - MyFloat NumNgb; /*!< neighbor number around particle */ - MyFloat DhsmlNgbFactor; /*!< correction factor needed for varying kernel lengths */ -#ifdef DO_DENSITY_AROUND_STAR_PARTICLES - MyFloat DensAroundStar; /*!< gas density in the neighborhood of the collisionless particle (evaluated from neighbors) */ - MyFloat GradRho[3]; /*!< gas density gradient evaluated simply from the neighboring particles, for collisionless centers */ -#endif -#ifdef RT_USE_TREECOL_FOR_NH - MyFloat ColumnDensityBins[RT_USE_TREECOL_FOR_NH]; /*!< angular bins for column density */ - MyFloat SigmaEff; /*!< effective column density -log(avg(exp(-sigma))) averaged over column density bins from the gravity tree (does not include the self-contribution) */ -#endif -#if defined(RT_SOURCE_INJECTION) - MyFloat KernelSum_Around_RT_Source; /*!< kernel summation around sources for radiation injection (save so can be different from 'density') */ -#endif - -#if defined(GALSF_FB_MECHANICAL) || defined(GALSF_FB_THERMAL) - MyFloat SNe_ThisTimeStep; /* flag that indicated number of SNe for the particle in the timestep */ -#ifdef GALSF_FB_FIRE_STELLAREVOLUTION - MyFloat MassReturn_ThisTimeStep; /* gas return from stellar winds */ -#ifdef GALSF_FB_FIRE_RPROCESS - MyFloat RProcessEvent_ThisTimeStep; /* R-process event tracker */ -#endif -#ifdef GALSF_FB_FIRE_AGE_TRACERS - MyFloat AgeDeposition_ThisTimeStep; /* age-tracer deposition */ -#endif -#endif -#endif -#ifdef GALSF_FB_MECHANICAL -#define AREA_WEIGHTED_SUM_ELEMENTS 12 /* number of weights needed for full momentum-and-energy conserving system */ - MyFloat Area_weighted_sum[AREA_WEIGHTED_SUM_ELEMENTS]; /* normalized weights for particles in kernel weighted by area, not mass */ -#endif -#ifdef GALSF_FB_FIRE_PROTOSTELLARJETS - MyFloat NewStar_Momentum_For_JetFeedback; /* amount of momentum to return from protostellar jet sub-grid model */ -#endif - -#if defined(GRAIN_FLUID) - MyFloat Grain_Size; - MyFloat Gas_Density; - MyFloat Gas_InternalEnergy; - MyFloat Gas_Velocity[3]; - MyFloat Grain_AccelTimeMin; -#if defined(GRAIN_BACKREACTION) - MyFloat Grain_DeltaMomentum[3]; -#endif -#if defined(GRAIN_LORENTZFORCE) - MyFloat Gas_B[3]; -#endif -#endif -#if defined(PIC_MHD) - short int MHD_PIC_SubType; -#endif - -#if defined(BLACK_HOLES) - MyIDType SwallowID; - int IndexMapToTempStruc; /*!< allows for mapping to BlackholeTempInfo struc */ -#ifdef BH_WIND_SPAWN - MyFloat unspawned_wind_mass; /*!< tabulates the wind mass which has not yet been spawned */ -#endif -#ifdef BH_COUNTPROGS - int BH_CountProgs; -#endif - MyFloat BH_Mass; - MyFloat Sink_Formation_Mass; /* initial mass of sink (total particle) when it formed */ -#if defined(BH_GRAVCAPTURE_FIXEDSINKRADIUS) - MyFloat SinkRadius; -#endif -#ifdef BH_INTERACT_ON_GAS_TIMESTEP - MyFloat dt_since_last_gas_search; /* keep track of time since the sink's last neighbor search and gas interaction (for feedback/accretion) */ - short int do_gas_search_this_timestep; /* flag for deciding whether to do gas stuff for a given timestep */ -#endif -#ifdef GRAIN_FLUID - MyFloat BH_Dust_Mass; -#endif -#ifdef RT_REINJECT_ACCRETED_PHOTONS - MyFloat BH_accreted_photon_energy; -#endif -#ifdef SINGLE_STAR_SINK_DYNAMICS - MyFloat SwallowTime; /* freefall time of a particle onto a sink particle */ -#endif -#if defined(SINGLE_STAR_TIMESTEPPING) - MyFloat BH_SurroundingGasVel; /* Relative speed of sink to surrounding gas */ -#endif -#if (SINGLE_STAR_SINK_FORMATION & 8) - int BH_Ngb_Flag; /* whether or not the gas lives in a sink's hydro stencil */ -#endif -#ifdef BH_ALPHADISK_ACCRETION - MyFloat BH_Mass_AlphaDisk; -#endif -#if defined(BH_SWALLOWGAS) && !defined(BH_GRAVCAPTURE_GAS) - MyFloat BH_AccretionDeficit; /* difference between continuously-accreted and discretely-accreted masses, needs to be evolved to ensure exact conservation with some modules */ -#endif -#ifdef BH_WAKEUP_GAS /* force all gas within the interaction radius of a sink to timestep at the same rate */ - int LowestBHTimeBin; -#endif -#ifdef BH_FOLLOW_ACCRETED_ANGMOM - MyFloat BH_Specific_AngMom[3]; -#endif -#ifdef BH_RETURN_BFLUX - MyDouble B[3]; -#endif -#ifdef JET_DIRECTION_FROM_KERNEL_AND_SINK - MyFloat Mgas_in_Kernel; - MyFloat Jgas_in_Kernel[3]; -#endif - MyFloat BH_Mdot; - int BH_TimeBinGasNeighbor; -#if defined(BH_ACCRETE_NEARESTFIRST) || defined(SINGLE_STAR_TIMESTEPPING) - MyFloat BH_dr_to_NearestGasNeighbor; -#endif -#ifdef BH_REPOSITION_ON_POTMIN - MyFloat BH_MinPotPos[3]; - MyFloat BH_MinPot; -#endif -#endif /* if defined(BLACK_HOLES) */ -#ifdef BH_SEED_FROM_LOCALGAS_TOTALMENCCRITERIA - MyFloat MencInRcrit; -#endif - -#ifdef BH_CALC_DISTANCES - MyFloat min_dist_to_bh; - MyFloat min_xyz_to_bh[3]; -#if defined(SINGLE_STAR_FIND_BINARIES) || (SINGLE_STAR_TIMESTEPPING > 0) - MyDouble min_bh_t_orbital; //orbital time for binary - MyDouble comp_dx[3]; //position offset of binary companion - this will be evolved in the Kepler solution while we use the Pos attribute to track the binary COM - MyDouble comp_dv[3]; //velocity offset of binary companion - this will be evolved in the Kepler solution while we use the Vel attribute to track the binary COM velocity - MyDouble comp_Mass; //mass of binary companion - int is_in_a_binary; // flag whether star is in a binary or not -#endif -#ifdef SINGLE_STAR_TIMESTEPPING - MyFloat min_bh_freefall_time; - MyFloat min_bh_approach_time; -#if (SINGLE_STAR_TIMESTEPPING > 0) - int SuperTimestepFlag; // >=2 if allowed to super-timestep (increases with each drift/kick), 1 if a candidate for super-timestepping, 0 otherwise - MyDouble COM_dt_tidal; //timescale from tidal tensor evaluated at the center of mass without contribution from the companion - MyDouble COM_GravAccel[3]; //gravitational acceleration evaluated at the center of mass without contribution from the companion -#endif -#ifdef SINGLE_STAR_FB_TIMESTEPLIMIT - MyFloat MaxFeedbackVel; // maximum signal velocity of any feedback mechanism emanating from the star - MyFloat min_bh_fb_time; // minimum time for feedback to arrive from a star -#endif -#endif -#endif - - -#ifdef SINGLE_STAR_STARFORGE_PROTOSTELLAR_EVOLUTION - MyFloat ProtoStellarAge; /*!< record the proto-stellar age instead of age */ - MyFloat ProtoStellarRadius_inSolar; /*!< protostellar radius (also tracks evolution from protostar to ZAMS star) */ - int ProtoStellarStage; /* Track the stage of protostellar evolution, 0: pre collapse, 1: no burning, 2: fixed Tc burning, 3: variable Tc burning, 4: shell burning, 5: main sequence, 6: supernova, see Offner 2009 Appendix B*/ //IO flag IO_STAGE_PROTOSTAR - MyFloat Mass_D; /* Mass of gas in the protostar that still contains D to burn */ // IO flag IO_MASS_D_PROTOSTAR - MyFloat StarLuminosity_Solar; /* the total luminosity of the star in L_solar units*/ //IO flag IO_LUM_SINGLESTAR - MyFloat ZAMS_Mass; /* The mass the star has when reaching the main sequence */ //IO flag IO_ZAMS_MASS -#ifdef SINGLE_STAR_FB_WINDS - MyFloat Wind_direction[6]; // direction of wind launches, to reduce anisotropy launches go along a random axis then a random perpendicular one, then one perpendicular to both. - int wind_mode; // tells what kind of wind model to use, 1 for particle spawning and 2 for using the FIRE wind module -#endif -#ifdef SINGLE_STAR_FB_SNE - MyFloat Mass_final; //final mass of the star before going SN (Since this is not saved to snapshots, hard restarts in the middle of spawning an SN will do weird things) -#endif -#endif - -#if defined(DM_SIDM) - double dtime_sidm; /*!< timestep used if self-interaction probabilities greater than 0.2 are found */ - long unsigned int NInteractions; /*!< Total number of interactions */ -#endif - -#if defined(SUBFIND) - int GrNr; - int SubNr; - int DM_NumNgb; - unsigned short targettask, origintask2; - int origintask, submark, origindex; - MyFloat DM_Hsml; - union - { - MyFloat DM_Density; - MyFloat DM_Potential; - } u; - union - { - MyFloat DM_VelDisp; - MyFloat DM_BindingEnergy; - } v; -#ifdef FOF_DENSITY_SPLIT_TYPES - union - { - MyFloat int_energy; - MyFloat density_sum; - } w; -#endif -#endif - - float GravCost[GRAVCOSTLEVELS]; /*!< weight factor used for balancing the work-load */ - -#ifdef WAKEUP - integertime dt_step; -#endif - -#if defined(FIRE_SUPERLAGRANGIAN_JEANS_REFINEMENT) || defined(SINGLE_STAR_AND_SSP_NUCLEAR_ZOOM) - MyFloat Time_Of_Last_MergeSplit; -#endif - -#ifdef AGS_HSML_CALCULATION_IS_ACTIVE - MyDouble AGS_Hsml; /*!< smoothing length (for gravitational forces) */ - MyFloat AGS_zeta; /*!< factor in the correction term */ - MyDouble AGS_vsig; /*!< signal velocity of particle approach, to properly time-step */ -#if defined(WAKEUP) - short int wakeup; /*!< flag to wake up particle */ -#endif -#endif - -#ifdef DM_FUZZY - MyFloat AGS_Density; /*!< density calculated corresponding to AGS routine (over interacting DM neighbors) */ - MyFloat AGS_Gradients_Density[3]; /*!< density gradient calculated corresponding to AGS routine (over interacting DM neighbors) */ - MyFloat AGS_Gradients2_Density[3][3]; /*!< density gradient calculated corresponding to AGS routine (over interacting DM neighbors) */ - MyFloat AGS_Numerical_QuantumPotential; /*!< additional potential terms 'generated' by un-resolved compression [numerical diffusivity] */ - MyFloat AGS_Dt_Numerical_QuantumPotential; /*!< time derivative of the above */ -#if (DM_FUZZY > 0) - MyFloat AGS_Psi_Re; - MyFloat AGS_Psi_Re_Pred; - MyFloat AGS_Dt_Psi_Re; - MyFloat AGS_Gradients_Psi_Re[3]; - MyFloat AGS_Gradients2_Psi_Re[3][3]; - MyFloat AGS_Psi_Im; - MyFloat AGS_Psi_Im_Pred; - MyFloat AGS_Dt_Psi_Im; - MyFloat AGS_Gradients_Psi_Im[3]; - MyFloat AGS_Gradients2_Psi_Im[3][3]; - MyFloat AGS_Dt_Psi_Mass; -#endif -#endif -#if defined(AGS_FACE_CALCULATION_IS_ACTIVE) - MyLongDouble NV_T[3][3]; /*!< holds the tensor used for gradient estimation */ -#endif -#ifdef CBE_INTEGRATOR - double CBE_basis_moments[CBE_INTEGRATOR_NBASIS][CBE_INTEGRATOR_NMOMENTS]; /* moments per basis function */ - double CBE_basis_moments_dt[CBE_INTEGRATOR_NBASIS][CBE_INTEGRATOR_NMOMENTS]; /* time-derivative of moments per basis function */ -#ifdef CBE_INTEGRATOR_WITHGRADIENTS - CBE_basis_moments_Gradients[CBE_INTEGRATOR_NBASIS][3]; /* gradients of the scalar weight of each basis function */ -#endif -#endif -} - *P, /*!< holds particle data on local processor */ - *DomainPartBuf; /*!< buffer for particle data used in domain decomposition */ - - -#ifndef GDE_LEAN -#define GDE_TIMEBEGIN(i) (P[i].a0) -#define GDE_VMATRIX(i, a, b) (P[i].V_matrix[a][b]) -#define GDE_INITDENSITY(i) (P[i].init_density) -#else -#define GDE_TIMEBEGIN(i) (All.TimeBegin) -#define GDE_VMATRIX(i, a, b) (0.0) -#define GDE_INITDENSITY(i) (All.GDEInitStreamDensity) -#endif - -#if defined(BLACK_HOLES) -#define BPP(i) P[(i)] -#endif - - -#if defined(HYDRO_TENSOR_FACE_CORRECTIONS_NGBITER) -#define HYDRO_TENSOR_FACE_CORRECTIONS_NUMBER_MOMWTS 15 -#else -#define HYDRO_TENSOR_FACE_CORRECTIONS_NUMBER_MOMWTS 9 -#endif - - -/* the following struture holds data that is stored for each gas cell in addition to the collisionless - * variables. - */ -extern struct gas_cell_data -{ - /* the PRIMITIVE and CONSERVED hydro variables used in STATE reconstruction */ - MyDouble Density; /*!< current baryonic mass density of particle */ -#ifdef HYDRO_MESHLESS_FINITE_VOLUME - MyDouble MassTrue; /*!< true particle mass ('mass' now is -predicted- mass */ - MyDouble dMass; /*!< change in particle masses from hydro step (conserved variable) */ - MyDouble DtMass; /*!< rate-of-change of particle masses (for drifting) */ - MyDouble GravWorkTerm[3]; /*!< correction term needed for hydro mass flux in gravity */ - MyDouble ParticleVel[3]; /*!< actual velocity of the mesh-generating points */ -#endif - - MyDouble Pressure; /*!< current pressure */ - MyDouble InternalEnergy; /*!< specific internal energy [internal thermal energy per unit mass] of cell */ - MyDouble InternalEnergyPred; /*!< predicted value of the specific internal energy at the current time */ - //MyDouble dInternalEnergy; /*!< change in specific internal energy from hydro step */ //manifest-indiv-timestep-debug// - MyDouble DtInternalEnergy; /*!< rate of change of specific internal energy */ - - MyDouble VelPred[3]; /*!< predicted gas cell velocity at the current time */ - //MyDouble dMomentum[3]; /*!< change in momentum from hydro step (conserved variable) */ //manifest-indiv-timestep-debug// - MyDouble HydroAccel[3]; /*!< acceleration due to hydrodynamical force (for drifting) */ - -#ifdef HYDRO_EXPLICITLY_INTEGRATE_VOLUME - MyDouble Density_ExplicitInt; /*!< explicitly integrated volume/density variable to be used if integrating the SPH-like form of the continuity directly */ -#endif - -#ifdef HYDRO_VOLUME_CORRECTIONS - MyDouble Volume_0; /*!< 0th-order cell volume for mesh-free (MFM/MFV-type) reconstruction at 0th-order volume quadrature */ - MyDouble Volume_1; /*!< 1st-order cell volume for mesh-free (MFM/MFV-type) reconstruction at 1st-order volume quadrature */ -#endif - -#if defined(GALSF_ISMDUSTCHEM_MODEL) - MyDouble ISMDustChem_Dust_Source[NUM_ISMDUSTCHEM_SOURCES]; /*!< amount of dust from each source of dust creation. 0=gas-dust accretion, 1=Sne Ia, 2=SNe II, 3=AGB */ - MyDouble ISMDustChem_Dust_Metal[NUM_ISMDUSTCHEM_ELEMENTS]; /*!< metallicity (species-by-species) of dust */ - MyDouble ISMDustChem_Dust_Species[NUM_ISMDUSTCHEM_SPECIES]; /*!< metallicity of dust species types. 0=silicates, 1=carbon, 2=SiC, 3=free-flying iron, (optional) 4=oxygen reservoir, (optional) 5=iron inclusions in silicates */ - MyDouble ISMDustChem_DelayTimeSNeSputtering; /*!< delay time for thermal sputtering due to recent SNe, used to not double count dust destruction with thermal sputtering */ - MyDouble ISMDustChem_C_in_CO; /*!< C metallicity locked in CO */ - MyDouble ISMDustChem_MassFractionInDenseMolecular; /*!< mass fraction of gas in dense MC phase */ -#endif - -#ifdef MAGNETIC - MyDouble Face_Area[3]; /*!< vector sum of effective areas of 'faces'; this is used to check closure for meshless methods */ - MyDouble BPred[3]; /*!< current magnetic field strength */ - MyDouble BField_prerefinement[3]; /*!< safety variable that stores the B-field before a refinement-type operation to allow it to be more conservatively reset correctly after the (de)refinement completes */ - MyDouble B[3]; /*!< actual B (conserved variable used for integration; can be B*V for flux schemes) */ - MyDouble DtB[3]; /*!< time derivative of B-field (of -conserved- B-field) */ - MyFloat divB; /*!< storage for the 'effective' divB used in div-cleaning procedure */ -#ifdef DIVBCLEANING_DEDNER - MyDouble DtB_PhiCorr[3]; /*!< correction forces for mid-face update to phi-field */ - MyDouble PhiPred; /*!< current value of Phi */ - MyDouble Phi; /*!< scalar field for Dedner divergence cleaning */ - MyDouble DtPhi; /*!< time derivative of Phi-field */ -#endif -#ifdef MHD_CONSTRAINED_GRADIENT - int FlagForConstrainedGradients;/*!< flag indicating whether the B-field gradient is a 'standard' one or the constrained-divB version */ -#endif -#if defined(SPH_TP12_ARTIFICIAL_RESISTIVITY) - MyFloat Balpha; /*!< effective resistivity coefficient */ -#endif -#endif /* MAGNETIC */ - -#if defined(KERNEL_CRK_FACES) - MyFloat Tensor_CRK_Face_Corrections[16]; /*!< tensor set for face-area correction terms for the CRK formulation of SPH or MFM/V areas */ -#endif -#if defined(HYDRO_TENSOR_FACE_CORRECTIONS) - MyFloat Tensor_MFM_Face_Corrections[9]; /*!< alternative tensor face corrections for linear consistency */ -#endif - -#ifdef COSMIC_RAY_FLUID - MyFloat CosmicRayEnergy[N_CR_PARTICLE_BINS]; /*!< total energy of cosmic ray fluid (the conserved variable) */ - MyFloat CosmicRayEnergyPred[N_CR_PARTICLE_BINS]; /*!< total energy of cosmic ray fluid (the conserved variable) */ - MyFloat DtCosmicRayEnergy[N_CR_PARTICLE_BINS]; /*!< time derivative of cosmic ray energy */ - MyFloat CosmicRayDiffusionCoeff[N_CR_PARTICLE_BINS];/*!< diffusion coefficient kappa for cosmic ray fluid */ - MyFloat Face_DivVel_ForAdOps; /*!< face-centered definition of the velocity divergence, needed to carefully handle adiabatic terms when Pcr >> Pgas */ -#if defined(CRFLUID_INJECTION_AT_SHOCKS) - MyFloat DtCREgyNewInjectionFromShocks; /*!< scalar to record energy injection at shock interfaces for acceleration from resolved shocks */ -#endif -#if defined(BH_CR_INJECTION_AT_TERMINATION) - MyDouble BH_CR_Energy_Available_For_Injection; /*!< Energy reservoir from CRs */ -#endif -#ifdef CRFLUID_M1 - MyFloat CosmicRayFlux[N_CR_PARTICLE_BINS][3]; /*!< CR flux vector [explicitly evolved] - conserved-variable */ - MyFloat CosmicRayFluxPred[N_CR_PARTICLE_BINS][3]; /*!< CR flux vector [explicitly evolved] - conserved-variable */ -#endif -#ifdef CRFLUID_EVOLVE_SCATTERINGWAVES - MyFloat CosmicRayAlfvenEnergy[N_CR_PARTICLE_BINS][2]; /*!< forward and backward-traveling Alfven wave-packet energies */ - MyFloat CosmicRayAlfvenEnergyPred[N_CR_PARTICLE_BINS][2]; /*!< drifted forward and backward-traveling Alfven wave-packet energies */ - MyFloat DtCosmicRayAlfvenEnergy[N_CR_PARTICLE_BINS][2]; /*!< time derivative fof forward and backward-traveling Alfven wave-packet energies */ -#endif -#if defined(CRFLUID_EVOLVE_SPECTRUM) - MyFloat CosmicRay_Number_in_Bin[N_CR_PARTICLE_BINS]; /*!< effective number of CRs in the bin, which we evolve alongside total energy. */ - MyFloat DtCosmicRay_Number_in_Bin[N_CR_PARTICLE_BINS]; /*!< time derivative of effective number of CRs in the bin, which we evolve alongside total energy. */ - //MyFloat CosmicRay_PwrLaw_Slopes_in_Bin[N_CR_PARTICLE_BINS]; /*!< power-law slope "gamma" of the CR spectral distribution: dN/dp ~ p^gamma , within each energy bin. this is strictly redundant with Number as its derived from it, retained for now as a convenience function */ -#if defined(CRFLUID_DIFFUSION_CORRECTION_TERMS) - MyFloat Flux_Number_to_Energy_Correction_Factor[N_CR_PARTICLE_BINS]; /*!< correction term to compute correct flux of number versus energy, since not identical for finite-bin-width effects. */ -#endif -#endif -#endif - -#ifdef SUPER_TIMESTEP_DIFFUSION - MyDouble Super_Timestep_Dt_Explicit; /*!< records the explicit step being used to scale the sub-steps for the super-stepping */ - int Super_Timestep_j; /*!< records which sub-step if the super-stepping cycle the particle is in [needed for adaptive steps] */ -#endif - -#if (SINGLE_STAR_SINK_FORMATION & 4) - MyFloat Density_Relative_Maximum_in_Kernel; /*!< hold density_max-density_i, for particle i, so we know if its a local maximum */ -#endif - - /* matrix of the primitive variable gradients: rho, P, vx, vy, vz, B, phi */ - struct - { - MyDouble Density[3]; - MyDouble Pressure[3]; - MyDouble Velocity[3][3]; -#ifdef MAGNETIC - MyDouble B[3][3]; -#ifdef DIVBCLEANING_DEDNER - MyDouble Phi[3]; -#endif -#endif -#ifdef DOGRAD_SOUNDSPEED - MyDouble SoundSpeed[3]; -#endif -#ifdef DOGRAD_INTERNAL_ENERGY - MyDouble InternalEnergy[3]; -#endif -#if defined(TURB_DIFF_METALS) && !defined(TURB_DIFF_METALS_LOWORDER) - MyDouble Metallicity[NUM_METAL_SPECIES][3]; -#endif -#ifdef COSMIC_RAY_FLUID - MyDouble CosmicRayPressure[N_CR_PARTICLE_BINS][3]; -#endif -#ifdef RT_COMPGRAD_EDDINGTON_TENSOR - MyDouble Rad_E_gamma_ET[N_RT_FREQ_BINS][3]; -#endif - } Gradients; - MyLongDouble NV_T[3][3]; /*!< holds the tensor used for gradient estimation */ - MyLongDouble ConditionNumber; /*!< condition number of the gradient matrix: needed to ensure stability */ - MyDouble FaceClosureError; /*!< dimensionless measure of face closure */ -#ifdef ENERGY_ENTROPY_SWITCH_IS_ACTIVE - MyDouble MaxKineticEnergyNgb; /*!< maximum kinetic energy (with respect to neighbors): use for entropy 'switch' */ -#endif - -#if defined(TURB_DIFF_METALS) || (defined(METALS) && defined(HYDRO_MESHLESS_FINITE_VOLUME)) - MyFloat Dyield[NUM_METAL_SPECIES+NUM_ADDITIONAL_PASSIVESCALAR_SPECIES_FOR_YIELDS_AND_DIFFUSION]; -#endif - -#ifdef HYDRO_SPH - MyDouble DhsmlHydroSumFactor; /* for 'traditional' SPH, we need the SPH hydro-element volume estimator */ -#endif - -#ifdef HYDRO_PRESSURE_SPH - MyDouble EgyWtDensity; /*!< 'effective' rho to use in hydro equations */ -#endif - -#if defined(ADAPTIVE_GRAVSOFT_FORGAS) && !defined(AGS_HSML_CALCULATION_IS_ACTIVE) - MyFloat AGS_zeta; /*!< correction term for adaptive gravitational softening lengths */ -#endif - - MyFloat MaxSignalVel; /*!< maximum signal velocity (needed for time-stepping) */ - int recent_refinement_flag; /*!< key that tells the code this cell was just refined or de-refined, to know to treat some other operations with care */ - -#ifdef GALSF_FB_FIRE_RT_UVHEATING - MyFloat Rad_Flux_UV; /*!< local UV field strength */ - MyFloat Rad_Flux_EUV; /*!< local (ionizing/hard) UV field strength */ -#endif - -#if defined(BH_WIND_SPAWN_SET_BFIELD_POLTOR) - MyDouble IniDen; - MyDouble IniB[3]; -#endif - -#ifdef CHIMES_STELLAR_FLUXES - double Chimes_G0[CHIMES_LOCAL_UV_NBINS]; /*!< 6-13.6 eV flux, in Habing units */ - double Chimes_fluxPhotIon[CHIMES_LOCAL_UV_NBINS]; /*!< ionising flux (>13.6 eV), in cm^-2 s^-1 */ -#ifdef CHIMES_HII_REGIONS - double Chimes_G0_HII[CHIMES_LOCAL_UV_NBINS]; - double Chimes_fluxPhotIon_HII[CHIMES_LOCAL_UV_NBINS]; -#endif -#endif -#ifdef CHIMES_TURB_DIFF_IONS - double ChimesNIons[CHIMES_TOTSIZE]; -#endif -#ifdef BH_COMPTON_HEATING - MyFloat Rad_Flux_AGN; /*!< local AGN flux */ -#endif - - -#if defined(TURB_DRIVING) || defined(OUTPUT_VORTICITY) - MyFloat Vorticity[3]; - MyFloat SmoothedVel[3]; -#endif - -#if defined(BH_THERMALFEEDBACK) - MyDouble Injected_BH_Energy; -#endif - -#ifdef COOLING -#if !defined(COOLING_OPERATOR_SPLIT) - int CoolingIsOperatorSplitThisTimestep; /* flag to tell us if cooling is operator split or not on a given timestep */ -#endif -#ifndef CHIMES - MyFloat Ne; /*!< electron fraction, expressed as local electron number density normalized to the hydrogen number density. Gives indirectly ionization state and mean molecular weight. */ -#endif -#endif -#ifdef GALSF - MyFloat Sfr; /*!< particle star formation rate */ -#if defined(GALSF_SFR_VIRIAL_CRITERION_TIMEAVERAGED) - MyFloat AlphaVirial_SF_TimeSmoothed; /*!< dimensionless number > 0.5 if self-gravitating for smoothed virial criterion */ -#endif -#endif -#ifdef GALSF_SUBGRID_WINDS - MyFloat DelayTime; /*!< remaining maximum decoupling time of wind particle */ -#if (GALSF_SUBGRID_WIND_SCALING==1) - MyFloat HostHaloMass; /*!< host halo mass estimator for wind launching velocity */ -#endif -#if (GALSF_SUBGRID_WIND_SCALING==2) - MyFloat HsmlDM; /*!< smoothing length to find neighboring dark matter particles */ - MyDouble NumNgbDM; /*!< number of neighbor dark matter particles */ - MyDouble DM_Vx; - MyDouble DM_Vy; - MyDouble DM_Vz; - MyDouble DM_VelDisp; /*!< surrounding DM velocity and velocity dispersion */ -#endif -#endif - -#if defined(GALSF_FB_FIRE_RT_HIIHEATING) - MyFloat DelayTimeHII; /*!< flag indicating particle is ionized by nearby star */ -#endif -#ifdef GALSF_FB_TURNOFF_COOLING - MyFloat DelayTimeCoolingSNe; /*!< flag indicating cooling is suppressed b/c heated by SNe */ -#endif - -#ifdef TURB_DRIVING - MyDouble DuDt_diss; /*!< quantities specific to turbulent driving routines */ - MyDouble DuDt_drive; - MyDouble EgyDiss; - MyDouble EgyDrive; - MyDouble TurbAccel[3]; -#endif - -#ifdef TURB_DIFFUSION - MyFloat TD_DiffCoeff; /*!< effective diffusion coefficient for sub-grid turbulent diffusion */ -#ifdef TURB_DIFF_DYNAMIC - MyDouble h_turb; - MyDouble MagShear; - MyFloat TD_DynDiffCoeff; /*!< improved Smag. coefficient (squared) for sub-grid turb. diff. - D. Rennehan */ -#endif -#endif - -#if defined(SPHAV_CD10_VISCOSITY_SWITCH) - MyFloat NV_DivVel; /*!< quantities specific to the Cullen & Dehnen viscosity switch */ - MyFloat NV_dt_DivVel; - MyFloat NV_A[3][3]; - MyFloat NV_D[3][3]; - MyFloat NV_trSSt; - MyFloat alpha; -#endif - -#ifdef HYDRO_SPH - MyFloat alpha_limiter; /*!< artificial viscosity limiter (Balsara-like) */ -#endif - -#ifdef CONDUCTION - MyFloat Kappa_Conduction; /*!< conduction coefficient */ -#endif - -#if defined(OUTPUT_MOLECULAR_FRACTION) || defined(COOL_MOLECFRAC_NONEQM) - MyFloat MolecularMassFraction; /*!< holder for molecular mass fraction for sims where we evaluate it on-the-fly and wish to save it [different from detailed chemistry modules] */ -#if defined(COOL_MOLECFRAC_NONEQM) - MyFloat MolecularMassFraction_perNeutralH; /*! molecular mass fraction -of-the-neutral-gas-, which we retain as a separate variable since we have a hybrid model here using implicit updates for the ionization fraction */ -#endif -#endif - -#ifdef MHD_NON_IDEAL - MyFloat Eta_MHD_OhmicResistivity_Coeff; /*!< Ohmic resistivity coefficient [physical units of L^2/t] */ - MyFloat Eta_MHD_HallEffect_Coeff; /*!< Hall effect coefficient [physical units of L^2/t] */ - MyFloat Eta_MHD_AmbiPolarDiffusion_Coeff; /*!< Hall effect coefficient [physical units of L^2/t] */ -#endif - - -#if defined(VISCOSITY) - MyFloat Eta_ShearViscosity; /*!< shear viscosity coefficient */ - MyFloat Zeta_BulkViscosity; /*!< bulk viscosity coefficient */ -#endif - - -#if defined(RADTRANSFER) - MyFloat ET[N_RT_FREQ_BINS][6]; /*!< eddington tensor - symmetric -> only 6 elements needed: this is dimensionless by our definition */ - MyFloat Rad_Je[N_RT_FREQ_BINS]; /*!< emissivity (includes sources like stars, as well as gas): units=Rad_E_gamma/time */ - MyFloat Rad_E_gamma[N_RT_FREQ_BINS]; /*!< photon energy (integral of dRad_E_gamma/dvol*dVol) associated with particle [for simple frequency bins, equivalent to photon number] */ - MyFloat Rad_Kappa[N_RT_FREQ_BINS]; /*!< opacity [physical units ~ length^2 / mass] */ -#if defined(COOLING) - MyFloat Lambda_RadiativeCooling_toRHDBins[N_RT_FREQ_BINS]; /* cooling rate to the various RHD bins here which is not entirely accounted for elsewhere */ -#endif -#ifdef RT_FLUXLIMITER - MyFloat Rad_Flux_Limiter[N_RT_FREQ_BINS]; /*!< dimensionless flux-limiter (0= 1) - gr_float grHI; - gr_float grHII; - gr_float grHM; - gr_float grHeI; - gr_float grHeII; - gr_float grHeIII; -#endif -#if (COOL_GRACKLE_CHEMISTRY >= 2) - gr_float grH2I; - gr_float grH2II; -#endif -#if (COOL_GRACKLE_CHEMISTRY >= 3) - gr_float grDI; - gr_float grDII; - gr_float grHDI; -#endif -#endif - -#ifdef TURB_DIFF_DYNAMIC - MyDouble VelShear_bar[3][3]; - MyDouble MagShear_bar; - MyDouble Velocity_bar[3]; - MyDouble Velocity_hat[3]; - MyFloat FilterWidth_bar; - MyFloat MaxDistance_for_grad; - MyDouble Norm_hat; - MyDouble Dynamic_numerator; - MyDouble Dynamic_denominator; -#ifdef OUTPUT_TURB_DIFF_DYNAMIC_ERROR - MyDouble TD_DynDiffCoeff_error; - MyDouble TD_DynDiffCoeff_error_default; -#endif -#endif - -} - *SphP, /*!< holds gas cell data on local processor */ - *DomainGasBuf; /*!< buffer for gas cell data in domain decomposition */ - - -extern peanokey *DomainKeyBuf; - -/* global state of system -*/ -extern struct state_of_system -{ - double Mass, - EnergyKin, - EnergyPot, - EnergyInt, - EnergyTot, - Momentum[4], - AngMomentum[4], - CenterOfMass[4], - MassComp[6], - EnergyKinComp[6], - EnergyPotComp[6], - EnergyIntComp[6], - EnergyTotComp[6], - MomentumComp[6][4], - AngMomentumComp[6][4], - CenterOfMassComp[6][4]; -} -SysState, SysStateAtStart, SysStateAtEnd; - - -/* Various structures for communication during the gravity computation. - */ - -extern struct data_index -{ - int Task; - int Index; - int IndexGet; -} - *DataIndexTable; /*!< the particles to be exported are grouped - by task-number. This table allows the - results to be disentangled again and to be - assigned to the correct particle */ - -extern struct data_nodelist -{ - int NodeList[NODELISTLENGTH]; -} -*DataNodeList; - -extern struct gravdata_in -{ - int Type; - MyFloat Pos[3]; - MyFloat Soft; -#if defined(ADAPTIVE_GRAVSOFT_FORGAS) || defined(ADAPTIVE_GRAVSOFT_FORALL) || defined(RT_USE_GRAVTREE) || defined(SINGLE_STAR_TIMESTEPPING) || defined(ADAPTIVE_GRAVSOFT_FROM_TIDAL_CRITERION) || defined(COSMIC_RAY_SUBGRID_LEBRON) -#define GRAVDATA_IN_INCLUDES_MASS_FIELD - MyFloat Mass; -#endif -#if defined(SINGLE_STAR_TIMESTEPPING) || defined(COMPUTE_JERK_IN_GRAVTREE) || defined(BH_DYNFRICTION_FROMTREE) - MyFloat Vel[3]; -#endif -#if defined(BH_DYNFRICTION_FROMTREE) - MyFloat BH_Mass; -#endif -#if defined(ADAPTIVE_GRAVSOFT_FORGAS) || defined(ADAPTIVE_GRAVSOFT_FORALL) - MyFloat AGS_zeta; -#endif -#ifdef SINGLE_STAR_FIND_BINARIES - MyFloat min_bh_t_orbital; /*! 0) - int SuperTimestepFlag; /*!< 2 if allowed to super-timestep, 1 if a candidate for super-timestepping, 0 otherwise */ -#endif - MyFloat OldAcc; - int NodeList[NODELISTLENGTH]; -} - *GravDataIn, /*!< holds particle data to be exported to other processors */ - *GravDataGet; /*!< holds particle data imported from other processors */ - - -extern struct gravdata_out -{ - MyLongDouble Acc[3]; -#ifdef RT_USE_TREECOL_FOR_NH - MyDouble ColumnDensityBins[RT_USE_TREECOL_FOR_NH]; -#endif -#ifdef COUNT_MASS_IN_GRAVTREE - MyLongDouble TreeMass; -#endif -#ifdef COSMIC_RAY_SUBGRID_LEBRON - MyLongDouble SubGrid_CosmicRayEnergyDensity; -#endif -#ifdef RT_OTVET - MyLongDouble ET[N_RT_FREQ_BINS][6]; -#endif -#ifdef GALSF_FB_FIRE_RT_UVHEATING - MyLongDouble Rad_Flux_UV; - MyLongDouble Rad_Flux_EUV; -#endif -#if defined(RT_USE_GRAVTREE_SAVE_RAD_ENERGY) - MyDouble Rad_E_gamma[N_RT_FREQ_BINS]; -#endif -#if defined(RT_USE_GRAVTREE_SAVE_RAD_FLUX) - MyDouble Rad_Flux[N_RT_FREQ_BINS][3]; -#endif -#ifdef CHIMES_STELLAR_FLUXES - double Chimes_G0[CHIMES_LOCAL_UV_NBINS]; - double Chimes_fluxPhotIon[CHIMES_LOCAL_UV_NBINS]; -#endif -#ifdef BH_COMPTON_HEATING - MyLongDouble Rad_Flux_AGN; -#endif -#ifdef BH_SEED_FROM_LOCALGAS_TOTALMENCCRITERIA - MyLongDouble MencInRcrit; -#endif -#ifdef EVALPOTENTIAL - MyLongDouble Potential; -#endif -#ifdef COMPUTE_TIDAL_TENSOR_IN_GRAVTREE - MyLongDouble tidal_tensorps[3][3]; -#ifdef ADAPTIVE_GRAVSOFT_FROM_TIDAL_CRITERION - MyLongDouble tidal_zeta; -#endif -#endif -#ifdef COMPUTE_JERK_IN_GRAVTREE - MyLongDouble GravJerk[3]; -#endif -#ifdef BH_CALC_DISTANCES - MyFloat min_dist_to_bh; - MyFloat min_xyz_to_bh[3]; -#ifdef SINGLE_STAR_FIND_BINARIES - MyFloat min_bh_t_orbital; //orbital time for binary - MyDouble comp_dx[3]; //position of binary companion - MyDouble comp_dv[3]; //velocity of binary companion - MyDouble comp_Mass; //mass of binary companion - int is_in_a_binary; // 1 if star is in a binary, 0 otherwise -#endif -#ifdef SINGLE_STAR_TIMESTEPPING - MyFloat min_bh_freefall_time; // minimum value of sqrt(R^3 / G(M_BH + M_particle)) as calculated from the tree-walk - MyFloat min_bh_approach_time; // smallest approach time t_a = |v_radial|/r -#if (SINGLE_STAR_TIMESTEPPING > 0) - MyLongDouble COM_tidal_tensorps[3][3]; //tidal tensor evaluated at the center of mass without contribution from the companion - MyDouble COM_GravAccel[3]; //gravitational acceleration evaluated at the center of mass without contribution from the companion - int COM_calc_flag; //flag that tells whether this was only a rerun to get the acceleration ad the tidal tenor at the center of mass of a binary - int SuperTimestepFlag; // 2 if allowed to super-timestep, 1 if a candidate for super-timestepping, 0 otherwise -#endif -#ifdef SINGLE_STAR_FB_TIMESTEPLIMIT - MyFloat min_bh_fb_time; // minimum time for feedback to arrive from a star -#endif -#endif -#endif -} - *GravDataResult, /*!< holds the partial results computed for imported particles. Note: We use GravDataResult = GravDataGet, such that the result replaces the imported data */ - *GravDataOut; /*!< holds partial results received from other processors. This will overwrite the GravDataIn array */ - - -extern struct potdata_out -{ - MyLongDouble Potential; -} - *PotDataResult, /*!< holds the partial results computed for imported particles. Note: We use GravDataResult = GravDataGet, such that the result replaces the imported data */ - *PotDataOut; /*!< holds partial results received from other processors. This will overwrite the GravDataIn array */ - - -extern struct info_block -{ - char label[4]; - char type[8]; - int ndim; - int is_present[6]; -} -*InfoBlock; - - - -// this structure needs to be defined here, because routines for feedback event rates, etc, are shared among files // -extern struct addFB_evaluate_data_in_ -{ - MyDouble Pos[3], Vel[3], Msne, unit_mom_SNe; - MyFloat Hsml, V_i, SNe_v_ejecta; -#ifdef GALSF_FB_MECHANICAL - MyFloat Area_weighted_sum[AREA_WEIGHTED_SUM_ELEMENTS]; -#endif -#ifdef METALS - MyDouble yields[NUM_METAL_SPECIES+NUM_ADDITIONAL_PASSIVESCALAR_SPECIES_FOR_YIELDS_AND_DIFFUSION]; -#endif - int NodeList[NODELISTLENGTH]; -} -*addFB_evaluate_DataIn_, *addFB_evaluate_DataGet_; - - - - - -/*! Header for the standard file format */ -extern struct io_header -{ - int npart[6]; /*!< number of particles of each type in this file */ - double mass[6]; /*!< mass of particles of each type. If 0, then the masses are explicitly stored in the mass-block of the snapshot file, otherwise they are omitted */ - double time; /*!< time of snapshot file */ - double redshift; /*!< redshift of snapshot file */ - int flag_sfr; /*!< flags whether the simulation was including star formation */ - int flag_feedback; /*!< flags whether feedback was included (obsolete) */ - unsigned int npartTotal[6]; /*!< total number of particles of each type in this snapshot. This can be different from npart if one is dealing with a multi-file snapshot. */ - int flag_cooling; /*!< flags whether cooling was included */ - int num_files; /*!< number of files in multi-file snapshot */ - double BoxSize; /*!< box-size of simulation in case periodic boundaries were used */ - double OmegaMatter; /*!< matter density in units of critical density */ - double OmegaLambda; /*!< cosmological constant parameter */ - double HubbleParam; /*!< Hubble parameter in units of 100 km/sec/Mpc */ - int flag_stellarage; /*!< flags whether the file contains formation times of star particles */ - int flag_metals; /*!< flags whether the file contains metallicity values for gas and star particles */ - - unsigned int npartTotalHighWord[6]; /*!< High word of the total number of particles of each type (needed to combine with npartTotal to allow >2^31 particles of a given type) */ - int flag_entropy_instead_u; /*!< flag here strictly for historical compatibility with unformatted binary files from GADGET-3 era formats, which expect this flag to exist. this does nothing in gizmo */ - int flag_doubleprecision; /*!< flags that snapshot contains double-precision instead of single precision */ - - int flag_ic_info; /*!< flag to inform whether IC files are generated with ordinary Zeldovich approximation, - or whether they ocontains 2nd order lagrangian perturbation theory initial conditions. - For snapshots files, the value informs whether the simulation was evolved from - Zeldoch or 2lpt ICs. Encoding is as follows: - FLAG_ZELDOVICH_ICS (1) - IC file based on Zeldovich - FLAG_SECOND_ORDER_ICS (2) - Special IC-file containing 2lpt masses - FLAG_EVOLVED_ZELDOVICH (3) - snapshot evolved from Zeldovich ICs - FLAG_EVOLVED_2LPT (4) - snapshot evolved from 2lpt ICs - FLAG_NORMALICS_2LPT (5) - standard gadget file format with 2lpt ICs - All other values, including 0 are interpreted as "don't know" for backwards compatability. - */ - float lpt_scalingfactor; /*!< scaling factor for 2lpt initial conditions */ - - char fill[18]; /*!< fills to 256 Bytes */ - char names[15][2]; -} -header; /*!< holds header for snapshot files */ - - - - - - - -enum iofields -{ IO_POS, - IO_VEL, - IO_ID, - IO_CHILD_ID, - IO_GENERATION_ID, - IO_MASS, - IO_U, - IO_RHO, - IO_NE, - IO_NH, - IO_HSML, - IO_SFR, - IO_AGE, - IO_GRAINSIZE, - IO_DUST_TO_GAS, - IO_GRAINTYPE, - IO_HSMS, - IO_Z, - IO_DUSTCHEMZMET, - IO_DUSTCHEMSPECIESMET, - IO_ISMDUSTCHEMMOL, - IO_BHMASS, - IO_BHMASSALPHA, - IO_BH_ANGMOM, - IO_BHMDOT, - IO_SINKDUSTMASSACC, - IO_R_PROTOSTAR, - IO_MASS_D_PROTOSTAR, - IO_ZAMS_MASS, - IO_STAGE_PROTOSTAR, - IO_AGE_PROTOSTAR, - IO_LUM_SINGLESTAR, - IO_BHPROGS, - IO_BH_DIST, - IO_ACRB, - IO_SINKRAD, - IO_SINK_FORM_MASS, - IO_POT, - IO_ACCEL, - IO_HYDROACCEL, - IO_HII, - IO_HeI, - IO_HeII, - IO_IDEN, - IO_INIB, - IO_UNSPMASS, - IO_CRATE, - IO_HRATE, - IO_NHRATE, - IO_HHRATE, - IO_MCRATE, - IO_DTENTR, - IO_TSTP, - IO_BFLD, - IO_AMBIPOLAR, - IO_OHMIC, - IO_HALL, - IO_IMF, - IO_COSMICRAY_ENERGY, - IO_COSMICRAY_KAPPA, - IO_COSMICRAY_ALFVEN, - IO_COSMICRAY_SLOPES, - IO_DIVB, - IO_ABVC, - IO_AMDC, - IO_PHI, - IO_GRADPHI, - IO_GRADRHO, - IO_GRADVEL, - IO_GRADMAG, - IO_COOLRATE, - IO_TIDALTENSORPS, - IO_GDE_DISTORTIONTENSOR, - IO_FLOW_DETERMINANT, - IO_PHASE_SPACE_DETERMINANT, - IO_ANNIHILATION_RADIATION, - IO_STREAM_DENSITY, - IO_EOSTEMP, - IO_EOSABAR, - IO_EOSYE, - IO_PRESSURE, - IO_EOSCS, - IO_EOS_STRESS_TENSOR, - IO_CBE_MOMENTS, - IO_EOSCOMP, - IO_PARTVEL, - IO_RADGAMMA, - IO_RAD_TEMP, - IO_RAD_OPACITY, - IO_DUST_TEMP, - IO_RAD_ACCEL, - IO_RAD_FLUX, - IO_EDDINGTON_TENSOR, - IO_LAST_CAUSTIC, - IO_SHEET_ORIENTATION, - IO_INIT_DENSITY, - IO_CAUSTIC_COUNTER, - IO_VDIV, - IO_VORT, - IO_DELAYTIME, - IO_SOFT, - IO_AGS_HKERN, - IO_AGS_RHO, - IO_AGS_QPT, - IO_AGS_PSI_RE, - IO_AGS_PSI_IM, - IO_AGS_ZETA, - IO_VSTURB_DISS, - IO_VSTURB_DRIVE, - IO_grHI, - IO_grHII, - IO_grHM, - IO_grHeI, - IO_grHeII, - IO_grHeIII, - IO_grH2I, - IO_grH2II, - IO_grDI, - IO_grDII, - IO_grHDI, - IO_OSTAR, - IO_DTOSTAR, - IO_TURB_DYNAMIC_COEFF, - IO_TURB_DIFF_COEFF, - IO_DYNERROR, - IO_DYNERRORDEFAULT, - IO_CHIMES_ABUNDANCES, - IO_CHIMES_MU, - IO_CHIMES_REDUCED, - IO_CHIMES_NH, - IO_CHIMES_STAR_SIGMA, - IO_CHIMES_FLUX_G0, - IO_CHIMES_FLUX_ION, - IO_DENS_AROUND_STAR, - IO_DELAY_TIME_HII, - IO_MOLECULARFRACTION, - IO_LASTENTRY /* This should be kept - it signals the end of the list */ -}; - -enum siofields -{ SIO_GLEN, - SIO_GOFF, - SIO_MTOT, - SIO_GPOS, - SIO_DELTA_MSUB, - SIO_DELTA_RSUB, - SIO_DELTA_DISPSUB, - SIO_DELTA_MGASSUB, - SIO_DELTA_MSTSUB, - SIO_DELTA_TEMPSUB, - SIO_DELTA_LXSUB, - SIO_NCON, - SIO_MCON, - SIO_BGPOS, - SIO_BGMTOP, - SIO_BGRTOP, - SIO_NSUB, - SIO_FSUB, - SIO_SLEN, - SIO_SOFF, - SIO_PFOF, - SIO_MSUB, - SIO_SPOS, - SIO_SVEL, - SIO_SCM, - SIO_SPIN, - SIO_DSUB, - SIO_VMAX, - SIO_RVMAX, - SIO_RHMS, - SIO_MBID, - SIO_GRNR, - SIO_SMST, - SIO_SLUM, - SIO_SLATT, - SIO_SLOBS, - SIO_HALODUST, - SIO_SAGE, - SIO_SZ, - SIO_SSFR, - SIO_PPOS, - SIO_PVEL, - SIO_PTYP, - SIO_PMAS, - SIO_PID, - - SIO_LASTENTRY -}; - -/* - * Variables for Tree - * ------------------ - */ - -extern long Nexport, Nimport; -extern int BufferCollisionFlag; -extern int BufferFullFlag; -extern int NextParticle; -extern int NextJ; -extern int TimerFlag; - -// note, the ALIGN(32) directive will effectively pad the structure size -// to a multiple of 32 bytes -extern ALIGN(32) struct NODE -{ - MyFloat center[3]; /*!< geometrical center of node */ - MyFloat len; /*!< sidelength of treenode */ - - union - { - int suns[8]; /*!< temporary pointers to daughter nodes */ - struct - { - MyFloat s[3]; /*!< center of mass of node */ - MyFloat mass; /*!< mass of node */ - unsigned int bitflags; /*!< flags certain node properties */ - int sibling; /*!< this gives the next node in the walk in case the current node can be used */ - int nextnode; /*!< this gives the next node in case the current node needs to be opened */ - int father; /*!< this gives the parent node of each node (or -1 if we have the root node) */ - } - d; - } - u; - - double GravCost; - integertime Ti_current; -#if defined(GRAVTREE_CALCULATE_GAS_MASS_IN_NODE) - MyFloat gasmass; -#endif -#ifdef BH_DYNFRICTION_FROMTREE - long N_part; /*!< number of particles+cells in the tree node */ -#endif -#ifdef RT_USE_GRAVTREE - MyFloat stellar_lum[N_RT_FREQ_BINS]; /*!< luminosity in the node*/ -#ifdef CHIMES_STELLAR_FLUXES - double chimes_stellar_lum_G0[CHIMES_LOCAL_UV_NBINS]; - double chimes_stellar_lum_ion[CHIMES_LOCAL_UV_NBINS]; -#endif -#endif - -#ifdef BH_PHOTONMOMENTUM - MyFloat bh_lum; /*!< luminosity of BHs in the node */ - MyFloat bh_lum_grad[3]; /*!< gradient vector for gas around BH (for angular dependence) */ -#endif - -#ifdef COSMIC_RAY_SUBGRID_LEBRON - MyFloat cr_injection; -#endif - -#ifdef BH_CALC_DISTANCES - MyFloat bh_mass; /*!< holds the BH mass in the node. Used for calculating tree based dist to closest bh */ - MyFloat bh_pos[3]; /*!< holds the mass-weighted position of the the actual black holes within the node */ -#if defined(SINGLE_STAR_TIMESTEPPING) || defined(SINGLE_STAR_FIND_BINARIES) - int N_BH; /*!< holds the number of BH particles in the node. Used for refinement/search criteria */ -#endif -#if defined(SINGLE_STAR_TIMESTEPPING) - MyFloat bh_vel[3]; /*!< holds the mass-weighted avg. velocity of black holes in the node */ -#ifdef SINGLE_STAR_FB_TIMESTEPLIMIT - MyFloat MaxFeedbackVel; -#endif -#endif -#endif - -#ifdef RT_SEPARATELY_TRACK_LUMPOS - MyFloat rt_source_lum_s[3]; /*!< center of luminosity for sources in the node*/ -#endif - - MyFloat maxsoft; /*!< hold the maximum gravitational softening of particle in the node */ - -#ifdef ADAPTIVE_GRAVSOFT_FROM_TIDAL_CRITERION - MyFloat tidal_tensorps_prevstep[3][3]; -#endif -#ifdef DM_SCALARFIELD_SCREENING - MyFloat s_dm[3]; - MyFloat mass_dm; -#endif -} - *Nodes_base, /*!< points to the actual memory allocated for the nodes */ - *Nodes; /*!< this is a pointer used to access the nodes which is shifted such that Nodes[All.MaxPart] gives the first allocated node */ - - -extern struct extNODE -{ - MyLongDouble dp[3]; -#ifdef RT_SEPARATELY_TRACK_LUMPOS - MyLongDouble rt_source_lum_dp[3]; - MyFloat rt_source_lum_vs[3]; -#endif -#ifdef DM_SCALARFIELD_SCREENING - MyLongDouble dp_dm[3]; - MyFloat vs_dm[3]; -#endif - MyFloat vs[3]; - MyFloat vmax; - MyFloat hmax; /*!< maximum gas kernel length in node. Only used for gas particles */ - MyFloat divVmax; - integertime Ti_lastkicked; - int Flag; -} - *Extnodes, *Extnodes_base; - - -extern int MaxNodes; /*!< maximum allowed number of internal nodes */ -extern int Numnodestree; /*!< number of (internal) nodes in each tree */ - - -extern int *Nextnode; /*!< gives next node in tree walk (nodes array) */ -extern int *Father; /*!< gives parent node in tree (Prenodes array) */ - -extern int maxThreads; - -#ifdef TURB_DRIVING // other global variables for forcing field (need to be carried through all timesteps) -extern double* StOUPhases; // random fluctuating component of the amplitudes -extern double* StAmpl; // relative amplitude for each k -extern double* StAka; // phases (real part) -extern double* StAkb; // phases (imag part) -extern double* StMode; // k vectors -extern int StNModes; // total number of modes -extern integertime StTPrev; // time of last update (to determine when next will be) -extern gsl_rng* StRng; // random number generator key -#endif - - - -#if defined(DM_SIDM) -#define GEOFACTOR_TABLE_LENGTH 1000 /*!< length of the table used for the geometric factor spline */ -extern MyDouble GeoFactorTable[GEOFACTOR_TABLE_LENGTH]; -#endif - -#endif /* ALLVARS_H - please do not put anything below this line */ diff --git a/cooling/cooling.cc b/cooling/cooling.cc index 31657a392..45b94f820 100644 --- a/cooling/cooling.cc +++ b/cooling/cooling.cc @@ -197,16 +197,16 @@ void do_the_cooling_for_particle(int i) { int k_donor = rt_get_donation_target_bin(k); /* this is used to indicate whether in the rad drift-kick loop, absorption is immediately re-radiated or not, ie. whether or not we should account for it here */ double tau = fabs(rt_absorption_rate(i,k) * dtime), f_abs = 1.-exp(-tau); if(tau<0.01) {f_abs=tau*(1.-tau/2.);} /* fraction of energy absorbed in the timestep */ - double absorpted_rad_energy = DMIN(SphP[i].Rad_E_gamma[k],SphP[i].Rad_E_gamma_Pred[k]) * f_abs; /* estimate energy from the band that is absorbed in this timestep */ + double absorpted_rad_energy = DMIN(CellP[i].Rad_E_gamma[k],CellP[i].Rad_E_gamma_Pred[k]) * f_abs; /* estimate energy from the band that is absorbed in this timestep */ #ifdef RT_INFRARED if(k==RT_FREQ_BIN_INFRARED) { k_donor = -1; /* we use this below to indicate radiation which hasn't been re-radiated, which is handled in a special way for the adaptive bin here [which by default re-emits to itself], so set this here */ - double opacity_fraction_from_gas_absorption = rt_kappa_adaptive_IR_band(i,SphP[i].Dust_Temperature,SphP[i].Radiation_Temperature,-1,-1) / (rt_kappa_adaptive_IR_band(i,SphP[i].Dust_Temperature,SphP[i].Radiation_Temperature,0,0) + MIN_REAL_NUMBER); /* want the opacity from gas absorption as a fraction of total, because this is -not- assumed to re-radiate immediately in the drift/kick routine */ + double opacity_fraction_from_gas_absorption = rt_kappa_adaptive_IR_band(i,CellP[i].Dust_Temperature,CellP[i].Radiation_Temperature,-1,-1) / (rt_kappa_adaptive_IR_band(i,CellP[i].Dust_Temperature,CellP[i].Radiation_Temperature,0,0) + MIN_REAL_NUMBER); /* want the opacity from gas absorption as a fraction of total, because this is -not- assumed to re-radiate immediately in the drift/kick routine */ absorpted_rad_energy *= opacity_fraction_from_gas_absorption; } #endif if(k_donor >= 0) {continue;} /* re-emitted immediately, ignore */ - de_u_radabs += fabs(total_absorption_rate); /* sum up absorbed photon energy */ + de_u_radabs += fabs(absorpted_rad_energy); /* sum up absorbed photon energy */ } de_u_work += de_u_radabs; /* add this to the energy reservoir represented by the work function */ double de_u_touse = de_u - de_u_work; /* this is the actual difference between the implicit hydro work+absorption term and the total term, i.e. a corrected de_u_rad, which we use below */ diff --git a/radiation/rt_utilities.cc b/radiation/rt_utilities.cc index 12f840443..8b7cc803a 100644 --- a/radiation/rt_utilities.cc +++ b/radiation/rt_utilities.cc @@ -1013,13 +1013,8 @@ void rt_apply_boundary_conditions(int i) #endif #ifdef RT_INFRARED if(k==RT_FREQ_BIN_INFRARED) { -<<<<<<< HEAD:radiation/rt_utilities.c - SphP[i].Radiation_Temperature = background_isrf_cmb_Teff(); - SphP[i].Dust_Temperature = DMIN(All.InitRadiationTemp,100.); -======= CellP[i].Radiation_Temperature = background_isrf_cmb_Teff(); - CellP[i].Dust_Temperature = DMIN(All.InitGasTemp,100.); ->>>>>>> d9ae60467e9fb6cd14f7ef1cc83e0a6738d01b22:radiation/rt_utilities.cc + CellP[i].Dust_Temperature = DMIN(All.InitRadiationTemp,100.); } #endif } @@ -1083,11 +1078,7 @@ void rt_set_simple_inits(int RestartFlag) { int k; #ifdef RT_INFRARED -<<<<<<< HEAD:radiation/rt_utilities.c - if(flag_to_reset_values_on_startup) {SphP[i].Radiation_Temperature = SphP[i].Dust_Temperature = DMIN(All.InitRadiationTemp,100.);} //get_min_allowed_dustIRrad_temperature(); // in K, floor = CMB temperature or 10K -======= - if(flag_to_reset_values_on_startup) {CellP[i].Radiation_Temperature = CellP[i].Dust_Temperature = DMIN(All.InitGasTemp,100.);} //get_min_allowed_dustIRrad_temperature(); // in K, floor = CMB temperature or 10K ->>>>>>> d9ae60467e9fb6cd14f7ef1cc83e0a6738d01b22:radiation/rt_utilities.cc + if(flag_to_reset_values_on_startup) {CellP[i].Radiation_Temperature = CellP[i].Dust_Temperature = DMIN(All.InitRadiationTemp,100.);} //get_min_allowed_dustIRrad_temperature(); // in K, floor = CMB temperature or 10K #ifdef RT_ISRF_BACKGROUND if(flag_to_reset_values_on_startup) {CellP[i].Radiation_Temperature = background_isrf_cmb_Teff();} //CellP[i].Dust_Temperature; #endif @@ -1131,11 +1122,7 @@ void rt_set_simple_inits(int RestartFlag) #ifdef RT_INFRARED if(flag_to_reset_values_on_startup && k==RT_FREQ_BIN_INFRARED) { // only initialize the IR energy if starting a new run, otherwise use what's in the snapshot -<<<<<<< HEAD:radiation/rt_utilities.c - SphP[i].Rad_E_gamma[RT_FREQ_BIN_INFRARED] = (4.*5.67e-5 / C_LIGHT_CGS) * pow(DMIN(All.InitRadiationTemp,100.),4.) / UNIT_PRESSURE_IN_CGS * P[i].Mass / (SphP[i].Density*All.cf_a3inv); -======= - CellP[i].Rad_E_gamma[RT_FREQ_BIN_INFRARED] = (4.*5.67e-5 / C_LIGHT_CGS) * pow(DMIN(All.InitGasTemp,100.),4.) / UNIT_PRESSURE_IN_CGS * P[i].Mass / (CellP[i].Density*All.cf_a3inv); ->>>>>>> d9ae60467e9fb6cd14f7ef1cc83e0a6738d01b22:radiation/rt_utilities.cc + CellP[i].Rad_E_gamma[RT_FREQ_BIN_INFRARED] = (4.*5.67e-5 / C_LIGHT_CGS) * pow(DMIN(All.InitRadiationTemp,100.),4.) / UNIT_PRESSURE_IN_CGS * P[i].Mass / (CellP[i].Density*All.cf_a3inv); } #endif #ifdef RT_ISRF_BACKGROUND @@ -1749,33 +1736,7 @@ double rt_kappa_adaptive_IR_band(int i, double T_dust, double Trad, int do_emiss the deviations from the fit functions are much smaller than the deviations owing to different grain composition choices (porous/non, composite/non, 5-layer/aggregated/etc) in Semenov et al's paper */ -<<<<<<< HEAD:radiation/rt_utilities.c kappa = dust_planck_mean_opacity(Trad, T_dust_opacitytable); -======= - -#if defined(RT_INFRARED) || defined(COOL_LOW_TEMPERATURES) - T_dust_opacitytable = DMIN(T_dust , 1499.9); // limit to <1500 so always use opacities for 'capped' value at 1500 below, but don't ignore, because we're assuming the dust destruction above 1500K is accounted for in the self-consistent calculation of the dust-to-metals ratio, NOT in the opacities here // -#endif - if(T_dust_opacitytable < 160.) // Tdust < 160 K (all dust constituents present) - { - kappa = exp(0.72819004 + 0.75142468*x - 0.07225763*x*x - 0.01159257*x*x*x + 0.00249064*x*x*x*x); - } else if(T_dust_opacitytable < 275.) { // 160 < Tdust < 275 (no ice present) - kappa = exp(0.16658241 + 0.70072926*x - 0.04230367*x*x - 0.01133852*x*x*x + 0.0021335*x*x*x*x); - } else if(T_dust_opacitytable < 425.) { // 275 < Tdust < 425 (no ice or volatile organics present) - kappa = exp(0.03583845 + 0.68374146*x - 0.03791989*x*x - 0.01135789*x*x*x + 0.00212918*x*x*x*x); - } else if(T_dust_opacitytable < 680.) { // 425 < Tdust < 680 (silicates, iron, & troilite present) - kappa = exp(-0.76576135 + 0.57053532*x - 0.0122809*x*x - 0.01037311*x*x*x + 0.00197672*x*x*x*x); - } else if(T_dust_opacitytable <= MAX_DUST_TEMP) { // 680 < Tdust < 1500 (silicates & iron present) - kappa = exp(-2.23863222 + 0.81223269*x + 0.08010633*x*x + 0.00862152*x*x*x - 0.00271909*x*x*x*x); - } else { - kappa = MIN_REAL_NUMBER; // here this following the hottest composition; we assume dust is absent above MAX_DUST_TEMP, but that's handled in the dust-to-gas mass ratio subroutine; this needs an opacity to calculate what the dust temperature -would- be in this limit; but actually shouldn't be able to hit this given the catches above for that limit - } - if(dx_excess > 0) {kappa *= exp(0.57*dx_excess);} // assumes kappa scales linearly with temperature (1/lambda) above maximum in fit; pretty good approximation // - kappa = DMIN(1.e-3 * Trad * Trad, kappa); // ensure that we extrapolate to low temperatures with a beta=2 law, like in the S03 paper fiducial model -#else - kappa = DMIN(1.e-3 * Trad * Trad, 5.); // beta=2 law capped at 5 cm^2/g, rough approximation of Semenov model neglecting jumps in composition -#endif ->>>>>>> d9ae60467e9fb6cd14f7ef1cc83e0a6738d01b22:radiation/rt_utilities.cc #ifdef RADTRANSFER if((do_emission_absorption_scattering_opacity==1) || (do_emission_absorption_scattering_opacity==-1)) { kappa *= (1.-0.5/(1.+((725.*725.)/(1.+Trad*Trad)))); /* rough interpolation for dust depending on the radiation temperature: high Trad, this is 1/2, low Trad, gets closer to unity */ diff --git a/test/gmc_cooling/nH_vs_T.png b/test/gmc_cooling/nH_vs_T.png index 84e15553fc092fb0243ca1785e2f668a3189318a..d4eeb5617e8e3208ecd32af1d3fbc75b98fa07d6 100644 GIT binary patch literal 66614 zcmcG0by!qi*zFlwDN(uw1*E%6B^2qDM!LIm5Cv&b5J4Jg2BbR_=~iH*k(MDv7*g&Y zf8V|TeShA09vRvp|3cJ~^^W 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e402f967b8c18a5269f9c069b31cd2ec39ebd89a Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Tue, 17 Mar 2026 15:31:40 -0400 Subject: [PATCH 52/90] missing source file for dust opacity table --- radiation/rt_dust_opacity.cc | 93 ++++++++++++++++++++++++++++++++++++ 1 file changed, 93 insertions(+) create mode 100644 radiation/rt_dust_opacity.cc diff --git a/radiation/rt_dust_opacity.cc b/radiation/rt_dust_opacity.cc new file mode 100644 index 000000000..9fa1cd42e --- /dev/null +++ b/radiation/rt_dust_opacity.cc @@ -0,0 +1,93 @@ +// Dust opacity table and interpolation routine computed using +// https://github.com/mikegrudic/STARFORGE-methods-errata + +#include "../declarations/allvars.h" +#include "math.h" +#include "stdio.h" + +#define N_TRAD 15 // number of T_rad samples +#define N_TDUST 5 // number of T_dust zones +MyFloat Tdust_zones[N_TDUST] = {160, 275, 425, 680, 1500}; // demarcation of T_dust zones +MyFloat logTrad_table[N_TRAD] = {0.0, + 0.2857142857142857, + 0.5714285714285714, + 0.8571428571428571, + 1.1428571428571428, + 1.4285714285714284, + 1.7142857142857142, + 2.0, + 2.2857142857142856, + 2.571428571428571, + 2.8571428571428568, + 3.142857142857143, + 3.4285714285714284, + 3.714285714285714, + 4.0}; +MyFloat log_kappadust_table[N_TDUST][N_TRAD] = { + {-1.909515215033498, -1.5017616295543856, -1.2610211141587906, + -1.0643751130254193, -0.7661794028048912, -0.2485164276172981, + 0.3936319485109052, 0.7185651396015793, 1.003536500936941, + 1.0703750048744685, 1.185414318657744, 1.4334392971521788, + 1.6154100043688104, 1.833331149478953, 2.2402919406422592}, + {-2.0584711507666156, -1.639523808954471, -1.3937562378746238, + -1.217712452271845, -1.0035307263948003, -0.6537979484512214, + -0.14444336531252724, 0.33781494089162734, 0.6204502553977504, + 0.7073792380378322, 0.817126602196553, 1.1620592165098858, + 1.4775329387335934, 1.7314724407802422, 2.122441393841703}, + {-2.092756656625387, -1.6688435106176933, -1.4197982288972344, + -1.2491484838263678, -1.0526101054461765, -0.7239962293949143, + -0.21897626943630635, 0.26791745490238816, 0.5498747399044497, + 0.6380011931553505, 0.7545581854919681, 1.1204828950445178, + 1.447717175478172, 1.6975481925473666, 2.066531977172171}, + {-2.466846959771108, -1.9983094494283768, -1.7094791411944892, + -1.5454814504892613, -1.4403397374848839, -1.2856048236415571, + -0.8297121104893529, -0.28151883033918534, 0.004258175582704628, + 0.12669094376131687, 0.31518820522515606, 0.8267768233252955, + 1.2296194436753016, 1.4691152621947785, 1.6952767195239868}, + {-3.7448342907548136, -3.298656729562377, -2.8766563714426696, + -2.4999445785716605, -2.1658033063307927, -1.8743193706624732, + -1.5588128589881036, -1.0606192296411485, -0.33965876540303136, + 0.5368140402181846, 1.1915541410857275, 1.4384491935887818, + 1.4792273276721044, 1.5197919949174217, 1.6603749111299055}, +}; + +/* Returns the Planck-mean dust opacity tabulated for the Semenov 2003 5-layered + porous shell dust model. + + Parameters + ---------- + Trad: Radiation temperature in K + Tdust: Dust temperature in K + + Returns + ------- + kappa_dust: Planck-mean dust opacity in cm^2/g assuming Solar metallicity + */ +MyFloat dust_planck_mean_opacity(MyFloat Trad, MyFloat Tdust) { + MyFloat logTmax = logTrad_table[N_TRAD - 1], logTmin = logTrad_table[0]; + MyFloat logT = log10(Trad); + + int Tdust_idx; + for (Tdust_idx = 0; Tdust_idx < N_TDUST + 1; Tdust_idx++) { + if (Tdust < Tdust_zones[Tdust_idx]) { + break; + } + } + if (Tdust_idx == N_TDUST + 1) { // Tdust is hot so dust is sublimated; return smol value + return MIN_REAL_NUMBER; + } + + if (logT >= logTmax) { + return pow(10., log_kappadust_table[Tdust_idx][N_TRAD - 1]); + } + if (logT <= logTmin) { + return pow(10., log_kappadust_table[Tdust_idx][0]); + } + + MyFloat dlogT = logTrad_table[1] - logTrad_table[0]; + int Trad_idx = (int)(N_TRAD - 1) * logT / (logTmax - logTmin); + MyFloat wt1 = 1 - (logT - logTrad_table[Trad_idx]) / dlogT, wt2 = 1 - wt1; + MyFloat log_kappa = wt1 * log_kappadust_table[Tdust_idx][Trad_idx] + + wt2 * log_kappadust_table[Tdust_idx][Trad_idx + 1]; + return pow(10., log_kappa); +} From 6b4cdc3f1b280c0dc3cd0aff4740e4146d689463 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Tue, 17 Mar 2026 15:50:59 -0400 Subject: [PATCH 53/90] ubuntu build environment + more informative plots in gmc cooling tests --- Makefile | 2 +- Makefile.systype | 4 ++-- test/gmc_cooling/nH_vs_T.png | Bin 66614 -> 123494 bytes test/gmc_cooling/test_gmc_cooling.py | 4 ++-- test/gmc_cooling_rt/nH_vs_T.png | Bin 66798 -> 153380 bytes test/gmc_cooling_rt/test_gmc_cooling_rt.py | 4 ++-- 6 files changed, 7 insertions(+), 7 deletions(-) diff --git a/Makefile b/Makefile index 56b66d3e3..ff05f84ee 100644 --- a/Makefile +++ b/Makefile @@ -196,7 +196,7 @@ endif #---------------------------- ifeq ($(SYSTYPE),"github-ubuntu") CC = mpicc -CXX = mpiccxx +CXX = mpicxx FC = $(CC) OPTIMIZE = -g -fcommon -O1 -funroll-loops -finline-functions -funswitch-loops -fpredictive-commoning -fgcse-after-reload -fipa-cp-clone ## optimizations for gcc compilers (1/2) OPTIMIZE += -ftree-loop-distribute-patterns -fvect-cost-model -ftree-partial-pre ## optimizations for gcc compilers (2/2) diff --git a/Makefile.systype b/Makefile.systype index 9256e812f..6e334a764 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -6,7 +6,7 @@ # ############# -#SYSTYPE="github-ubuntu" +SYSTYPE="github-ubuntu" #SYSTYPE="Frontera" #SYSTYPE="Stampede2" #SYSTYPE="Bridges2" @@ -14,7 +14,7 @@ #SYSTYPE="Wheeler" #SYSTYPE="CaltechHPC" #SYSTYPE="MacBookPro" -SYSTYPE="MacBookCellar" +#SYSTYPE="MacBookCellar" #SYSTYPE="Quest" #SYSTYPE="Quest-intel" #SYSTYPE="TSCC" diff --git a/test/gmc_cooling/nH_vs_T.png b/test/gmc_cooling/nH_vs_T.png index d4eeb5617e8e3208ecd32af1d3fbc75b98fa07d6..2b5567033cf30cd7acd9ccd88abfb585077ba4fc 100644 GIT binary patch literal 123494 zcmd42WmHvN_%BK$jf6C)v`9%e2HjH9Aky8LHlH?ZmM4q?-^={yVH|G8t_ 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".", markersize=1, color="black", label="Test") with h5py.File("gmc_cooling_exact.hdf5", "r") as F: nH_ref = F["PartType0/Density"][:] * rho_to_nH T_ref = F["PartType0/Temperature"][:] - plt.loglog(nH_ref, T_ref, ".", markersize=1, color="red", label="Benchmark") + plt.loglog(nH_ref, T_ref, ".", markersize=0.3, color="red", label="Benchmark") + plt.loglog(nH, T, ".", markersize=0.3, color="black", label="Test") plt.xlabel(r"$n_{\rm H}\,\rm\left(\rm cm^{-3}\right)$") plt.ylabel(r"$T (\rm K)$") plt.legend(loc=3) diff --git a/test/gmc_cooling_rt/nH_vs_T.png b/test/gmc_cooling_rt/nH_vs_T.png index 3d92948ae3885cf5d8c18cac77fcbc3aa7125fae..097506b7d56d7fd398b66748e3abe2b13747f380 100644 GIT binary patch literal 153380 zcmb?@WmHvRw=U9>0-H`nN|4-iigbgZfHczG-2wsv(hbtx-MK-!ySuyD#9i>6amGD= z&W}6pk3Ep>-fOM*eP=xLna?ChK~5YUg$M-(1_oVHLPQA$2KESeEg>TU?_3&18v#Ff z>_t`WzgQXCJL%dQz{u*_Tbo<^1*|bv+`xi)6=q1WN)dY zt#G6dOahh2i%|H-@m`d#)a&hJ8HVcyl2}^ 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T_ref, ".", markersize=0.3, color="red", label="Benchmark") + plt.loglog(nH, T, ".", markersize=0.3, color="black", label="Test") plt.xlabel(r"$n_{\rm H}\,\rm\left(\rm cm^{-3}\right)$") plt.ylabel(r"$T (\rm K)$") plt.legend(loc=3) From bc9884c6a3762f8f115ef6686fef46ec3b2f2aab Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Tue, 17 Mar 2026 19:28:21 -0400 Subject: [PATCH 54/90] extra diagnostic plots for gmc_cooling_rt test --- test/gmc_cooling/nH_vs_T.png | Bin 123494 -> 122895 bytes test/gmc_cooling_rt/nH_vs_T.png | Bin 153380 -> 109719 bytes test/gmc_cooling_rt/test_gmc_cooling_rt.py | 33 +++++++++++++++++---- 3 files changed, 27 insertions(+), 6 deletions(-) diff --git a/test/gmc_cooling/nH_vs_T.png b/test/gmc_cooling/nH_vs_T.png index 2b5567033cf30cd7acd9ccd88abfb585077ba4fc..0cce78bc06537b373217f56b96a4627f0d4d6c31 100644 GIT binary patch literal 122895 zcmce7bx@U2*DsAUBAp^2AT8Y`AqYr!cXxM7E8R#)r!)sRba!`m9J=d1_E~@{p_{ZTEEy~-(@AxkO`5YprFvcN`6s*f`Wkn-z#qrfLE?e<4u7-xShn* 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z2C*u9eVC&_Ywr&s{Qs7EnMe9Yp=6 zPdYn0ZwgH@Gc&h!b>Z0M!*@sM7idK`#KJaL)6kGl*q2px{o9ik<4P^*^ojH`2LLb8 z2wIC>AH|A_w4tv7I-SUrn1&~Xb<_AVS6g?%{Xk|)(4Rg2qMQiL8E8X54;ykKjUSf8 z<@utV6>c_UV(<7}eZWOZBe5!7U0jpCx>z^kFPC1k{S$Td_icui7FG4#Q*>R diff --git a/test/gmc_cooling_rt/test_gmc_cooling_rt.py b/test/gmc_cooling_rt/test_gmc_cooling_rt.py index c3332a2a5..d83a63342 100644 --- a/test/gmc_cooling_rt/test_gmc_cooling_rt.py +++ b/test/gmc_cooling_rt/test_gmc_cooling_rt.py @@ -18,25 +18,46 @@ def compute_test_statistic(f, save_reference_solution=False, plot=False): rho = F["PartType0/Density"][:] nH = F["PartType0/Density"][:] * rho_to_nH T = F["PartType0/Temperature"][:] + Trad = F["PartType0/IRBand_Radiation_Temperature"][:] + Tdust = F["PartType0/Dust_Temperature"][:] - if save_reference_solution: - with h5py.File("gmc_cooling_rt_exact.hdf5", "w") as F: - F.create_dataset("PartType0/Metallicity", data=Z) - F.create_dataset("PartType0/Density", data=rho) - F.create_dataset("PartType0/Temperature", data=T) + # if save_reference_solution: + # with h5py.File("gmc_cooling_rt_exact.hdf5", "w") as F: + # F.create_dataset("PartType0/Metallicity", data=Z) + # F.create_dataset("PartType0/Density", data=rho) + # F.create_dataset("PartType0/Temperature", data=T) if plot: with h5py.File("gmc_cooling_rt_exact.hdf5", "r") as F: nH_ref = F["PartType0/Density"][:] * rho_to_nH T_ref = F["PartType0/Temperature"][:] + Trad_ref = F["PartType0/IRBand_Radiation_Temperature"][:] + Tdust_ref = F["PartType0/Dust_Temperature"][:] + plt.loglog(nH_ref, T_ref, ".", markersize=0.3, color="red", label="Benchmark") - plt.loglog(nH, T, ".", markersize=0.3, color="black", label="Test") + plt.loglog(nH, T, ".", markersize=0.3, color="black", label="Test") plt.xlabel(r"$n_{\rm H}\,\rm\left(\rm cm^{-3}\right)$") plt.ylabel(r"$T (\rm K)$") plt.legend(loc=3) plt.savefig("test/gmc_cooling_rt/nH_vs_T.png", bbox_inches="tight") plt.close() + plt.loglog(nH_ref, Tdust_ref, ".", markersize=0.3, color="red", label="Benchmark") + plt.loglog(nH, Tdust, ".", markersize=0.3, color="black", label="Test") + plt.xlabel(r"$n_{\rm H}\,\rm\left(\rm cm^{-3}\right)$") + plt.ylabel(r"$T_{\rm dust} (\rm K)$") + plt.legend(loc=3) + plt.savefig("test/gmc_cooling_rt/nH_vs_Tdust.png", bbox_inches="tight") + plt.close() + + plt.loglog(nH_ref, Trad_ref, ".", markersize=0.3, color="red", label="Benchmark") + plt.loglog(nH, Trad, ".", markersize=0.3, color="black", label="Test") + plt.xlabel(r"$n_{\rm H}\,\rm\left(\rm cm^{-3}\right)$") + plt.ylabel(r"$T_{\rm rad} (\rm K)$") + plt.legend(loc=3) + plt.savefig("test/gmc_cooling_rt/nH_vs_Trad.png", bbox_inches="tight") + plt.close() + nH_bins = np.logspace(1, 3, 10) return binned_statistic(nH, T, "median", nH_bins)[0] From a1a813b8b0597970ac6e1fc65c4440838a9a4869 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Wed, 18 Mar 2026 16:00:53 -0400 Subject: [PATCH 55/90] more detailed plots for gmc_cooling_rt test --- test/gmc_cooling/nH_vs_T.png | Bin 122895 -> 123494 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zk5tzyl{IQ2paLg6L9Gg~-xzl0c~DklzbGv%`q&@9mF#;a}5e}EY+@Z)CA)5m({D~zO`0$-KI^4B;u$){1+CYt;O0~sF9al(yUnU0klTR3z8j)~rvSp) z1)jnbKgIt^-WvwH06fq2To8YvtMjj_tCvm9SY2I3jQ?B*?%rip%Uwq_@fYR59@Vf} zSKz6!{T`mq8|~q!id@vNwTsNU&0yyMpadM7B$yC~*EHjEwuJ_>TGvX#=NA^!&w CuZP|M diff --git a/test/gmc_cooling_rt/test_gmc_cooling_rt.py b/test/gmc_cooling_rt/test_gmc_cooling_rt.py index 6f8fd8733..bec244992 100644 --- a/test/gmc_cooling_rt/test_gmc_cooling_rt.py +++ b/test/gmc_cooling_rt/test_gmc_cooling_rt.py @@ -1,5 +1,6 @@ """GMC cooling and chemistry test""" +import pytest from gizmo.test import build_and_run_test, get_cooling_tables from os import path from matplotlib import pyplot as plt @@ -97,10 +98,11 @@ def compute_test_statistic(f, save_reference_solution=False, plot=False): return binned_statistic(nH, T, "median", nH_bins)[0] -def test_gmc_cooling_rt(): +@pytest.mark.parametrize("num_mpi_ranks", (1, 2, 4)) +def test_gmc_cooling_rt(num_mpi_ranks): test_name = "gmc_cooling_rt" get_cooling_tables() - build_and_run_test(test_name) + build_and_run_test(test_name, num_mpi_ranks) if not path.isfile("test/gmc_cooling_rt/output/snapshot_010.hdf5"): raise (RuntimeError("GIZMO did not run successfully.")) From 9f52a9803b5d79be3f8eb4a0d8b0213e17a019a6 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Thu, 19 Mar 2026 12:33:54 -0400 Subject: [PATCH 58/90] added rusty build environment to makefile. Removed vestigial commented-out SYSTYPE's in Makefile.systype that are not implemented in the makefile --- Makefile | 20 +++++++++++++++ Makefile.systype | 43 +------------------------------- test/gmc_cooling_rt/nH_vs_T.png | Bin 43794 -> 44091 bytes 3 files changed, 21 insertions(+), 42 deletions(-) diff --git a/Makefile b/Makefile index ff05f84ee..d98582a09 100644 --- a/Makefile +++ b/Makefile @@ -170,6 +170,8 @@ OPT += # endif #---------------------------------------------------------------------------------------------- +# Environment for building GIZMO on a macbook with libraries installed via homebrew. But note +# that the specific GSL and HDF5 versions are hardcoded here... ifeq ($(SYSTYPE),"MacBookCellar") CC = mpicc CXX = mpicxx -std=c++11 @@ -223,6 +225,24 @@ OPT += -DDISABLE_ALIGNED_ALLOC -DCHIMES_USE_DOUBLE_PRECISION ## to get required packages: sudo apt install libhdf5-openmpi-dev libgsl-dev libopenmpi-dev endif +#---------------------------- +# Should work on any Flatiron institute linux cluster environment: rusty, popeye and linux workstations +ifeq ($(SYSTYPE),"RUSTY") +CC = mpicc +ifeq (SOFTDOUBLEDOUBLE,$(findstring SOFTDOUBLEDOUBLE,$(OPT))) +CC = mpicxx +endif +FC = mpifort +OPTIMIZE = -O2 -g -Wall +GSL_INCL = -I$(GSL_BASE)/include +GSL_LIBS = -L$(GSL_BASE)/lib -Xlinker -R -Xlinker $(GSL_BASE) -lgsl -lgslcblas +FFTW_INCL= -I$(FFTW3_BASE)/include +FFTW_LIBS= -L$(FFTW3_BASE)/lib -Xlinker -R -Xlinker $(FFTW3_BASE)/lib +MPICHLIB = +HDF5INCL = -I$(HDF5_BASE)/include -DH5_USE_16_API +HDF5LIB = -L$(HDF5_BASE)/lib -Xlinker -R -Xlinker $(HDF5_BASE)/lib -lhdf5 -lz +endif + #---------------------------------------------------------------------------------------------- #---------------------------------------------------------------------------------------------- diff --git a/Makefile.systype b/Makefile.systype index 6e334a764..e942f4434 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -8,48 +8,7 @@ SYSTYPE="github-ubuntu" #SYSTYPE="Frontera" -#SYSTYPE="Stampede2" -#SYSTYPE="Bridges2" -#SYSTYPE="Anvil" -#SYSTYPE="Wheeler" -#SYSTYPE="CaltechHPC" -#SYSTYPE="MacBookPro" #SYSTYPE="MacBookCellar" -#SYSTYPE="Quest" -#SYSTYPE="Quest-intel" -#SYSTYPE="TSCC" #SYSTYPE="Expanse" -#SYSTYPE="Iron" +#SYSTEM="CaltechHPC" #SYSTYPE="RUSTY" -#SYSTYPE="Darter" -#SYSTYPE="Comet" -#SYSTYPE="Gordon" -#SYSTYPE="odyssey" -#SYSTYPE="antares" -#SYSTYPE="Pleiades" -#SYSTYPE="Mira" -#SYSTYPE="Titan" -#SYSTYPE="Edison" -#SYSTYPE="SciNet" -#SYSTYPE="Ranger_intel" -#SYSTYPE="Ranger_pgi" -#SYSTYPE="Darwin" -#SYSTYPE="Magny" -#SYSTYPE="Magny-Intel" -#SYSTYPE="OpenSuse" -#SYSTYPE="OpenSuse64" -#SYSTYPE="HLRB2" -#SYSTYPE="MPA" -#SYSTYPE="VIP" -#SYSTYPE="Ubuntu" -#SYSTYPE="MBM" -#SYSTYPE="OpteronMPA-Gnu" -#SYSTYPE="OpteronMPA-Intel" -#SYSTYPE="Centos5-intel" -#SYSTYPE="Kolob" -#SYSTYPE="Centos5-Gnu" -#SYSTYPE="OPA-Cluster64-Intel" -#SYSTYPE="Stampede" -#SYSTYPE="Zwicky" -#SYSTYPE="BlueWaters" -#SYSTYPE="PopOS" \ No newline at end of file diff --git a/test/gmc_cooling_rt/nH_vs_T.png b/test/gmc_cooling_rt/nH_vs_T.png index d7000c34c13fb9b6c52fdf1b43996f2e30f5eb97..09a8e462dda2faa499ffde00fc771b738a4175ec 100644 GIT binary patch literal 44091 zcmcG$WmFbGv@T2tNQb0KcQ;5%hjgcubax}&2nYyDmw@i?RBYQ&K1^A*$|~zIW&0s6Q1*d;flDKO{!# zHx*pR6GSYdc$r9C(E!{}Omq2soEN|LervCKx_c}h95zsvmKe0$w0P^4kPFoa^u0?w zG4-*PRX4|yjmNUc^6gHEv}#VeLK@~8DRSBPumupevVh~@I_H`PzK^NDo9!vsiM znUtnF$)Xa_FPBu@17s|0@b%Fj?cni8*a00G5#Wmsjt%k*`ahB|h#nN+EB9&pvLbW{ zE-c}EByJ5Ui*`S`A76u zk3EOy=1^g@TfDh*b8~}6S=9_fzI&b0@Yv529#}yoP=R4FXpTUC!Sm!RtNkbPf7{V_ ziem#4tvv|5eocxPZ2Z^7#f1}})gY$EVkkDn&D}k=V%V_R6I(||r-pY1Mnhd4CctFT z<*Nhp{zNTu{(-C8xUk-~A!f(+>mTH}5$lXU#f6e_tAW1y!;UbBTN1HYiLk^je5eLc_m#s-4l%LAwXp%Rgw)lA_& zIJgjp`<<_KbrXk~jCJQ$@7Jc_g`y0fohkhF&Xzv55ld6P^I41fKkBtt^ta3R@86eg z(9W>hNVZk}re-^={+q%DRqOwWUHo4f7efBZY~l8yJ^Cfr<2f<;L1;xj=Cs|zc~>+e zz4d*LgP%fSG2`8xrq(IM3^jCw;EoLSV~lf?&mNFq-)T3j7M%Ow8UTOma8S)6?QWD1ME=i46&9EW1TT9%8(j)g>teg=@n!<@WZ z5`NZ};G$AI8AH|B(!XX{2`uwtlwiG70>XLvBGWk3yt1j0d2eFof>+&}7P z1b-|ms-1WXTHag>mmb%_!4(m{3gRrch)+ro&U-I(p?GGvEAeoSX)MotwPTvPs!EtQ zUj7FP63j2r4!FL`wcR`{SB*rkWhr!iuy}cx(^H2&Li8h^ioFKblvKav!}ful#L%Zp z<9_X^TI${Sx0NUfnTDxQOj!b_Z}ny%^X}O^SF$2q#aViA)tcZuiPCUSLW}(?ft}%- zK31pWrTaFB)8^E+{ddft&ci)q;Ao;up-bnF%QM}!DXk179m;#wi?)W&$0j<)#3K0V z&j>|*MA9{pssv%Xt!r*~XW>&|LUk z@1-z5M>f;7+w@?<<_G$N_eUuZ*Y%+h-&-8hEMC(!AT#!$2HL@T3KrZSgpy<9PLk<$ z?H@I!>@mdkl$Dot;l3m!J_P)&zQhEE{&?qFLmg}Gp}z7^U49Sh$bd`GuEhAZ`9xpl zj)lp&e)Wr}=keLLQ;geq$JS}6FN<(Ex?dgX@`=Me?M|y8Y~j0C>+f*DnxQX(eLhdy z@=#GzcbM0N`Y^!K>)*XHijfqHLB_0hU!%}eC^}8LMD4Ek#~)A8ETn9DN!aX%IJJ0X z2)RGjtDGyX;a~ytsJvo>g!e7B_)yZ+!UKGgFgZ4d5vdgoV%%a+AGb?WuE4!i9(F>D z9U0L{OWSkn7`dXhZ}WrEQoP4$S;$$c7l%5*9N~P|@^VKoTiW1CW|(!TP1ch$8khh@ z9GRa6QJ1*}-JeSZU4)d*jKmN12y2HSxTm%e{=Y}Ap%iS%Y&LeeXUQ1a`Y9oi*V_zIId(PHMU zC7;XFt)&}A?E{1Gq2AMF5SHkw*&z>2v$MLmcz6iSej7(CT}8#ko%eUQRUU^1dkakj zV4bo0su^3)^9e1d<@P|bU#|pFgh#`hhwaOrC=LonmkyU@KJxK^KrIr z{4lA?Zf<^wgz>U{fVEA~s%dA(y7^+(rsK2wbaxLeg|`!tR2mCI|Fc}Q?O(-WhFZ*- z?HWI7m=_0%Y#MT3ugMa|^vt9mykZ}X4jgb;Ssfgc(XK|2o3s~obye5i6az}g{}J@o z>9yw(S^vO*)AleqkdSv-Xe%6(wC5wGG;R(t3<@gh@vKdS@x%RHVtF&Eu&?&SD;J%P zM&f{B1-dv687#hySH)Qn^r9#DO#3%5u^*2}7U({pn?MepST9{=LA(#(r}r-^e}@Bk z>6B4E+ zZ+2kcd2Oo@ziastt%~tNVJ*or)}$z3x9%tz!>hQAO!&Z=2TX);f`TMj>p(? znXv>H?j9t$jjk#{j6JdagtjVmxfn7vAi|xYv9O*T17v?_?3=#W!Ep?~4Zj$3vy^3! 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corrected docs for accuracy (out soundwave setup assumes c_s=2/3) --- Makefile.systype | 4 +-- python_src/gizmo/test.py | 51 ++++++++++++++++++++++++++++---- scripts/gizmo_documentation.md | 2 +- test/build_gizmo_for_test.sh | 1 + test/gmc_cooling/Config.sh | 2 +- test/soundwave/Config.sh | 7 +++++ test/soundwave/soundwave.params | 24 +++++++++++++++ test/soundwave/test_soundwave.py | 17 +++++++++++ 8 files changed, 99 insertions(+), 9 deletions(-) create mode 100644 test/soundwave/Config.sh create mode 100644 test/soundwave/soundwave.params create mode 100644 test/soundwave/test_soundwave.py diff --git a/Makefile.systype b/Makefile.systype index fd294882e..5227dec36 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -6,9 +6,9 @@ # ############# -SYSTYPE="github-ubuntu" +#SYSTYPE="github-ubuntu" #SYSTYPE="Frontera" -#SYSTYPE="MacBookCellar" +SYSTYPE="MacBookCellar" #SYSTYPE="Expanse" #SYSTYPE="CaltechHPC" #SYSTYPE="RUSTY" diff --git a/python_src/gizmo/test.py b/python_src/gizmo/test.py index f5ba2db7c..ddc581285 100644 --- a/python_src/gizmo/test.py +++ b/python_src/gizmo/test.py @@ -1,7 +1,11 @@ """General routines to build gizmo for a test and obtain ICs and params files""" -from os import system, environ, path +from os import system, environ, path, chdir from urllib.request import urlretrieve, HTTPError +from shutil import move +import pytest +from matplotlib import pyplot as plt +import h5py def build_gizmo_for_test(test_name: str): @@ -10,6 +14,8 @@ def build_gizmo_for_test(test_name: str): system("bash test/build_gizmo_for_test.sh") if not path.isfile("GIZMO"): raise FileNotFoundError("Did not successfully build GIZMO") + move("GIZMO", f"test/{test_name}/GIZMO") + system(f"chmod +x test/{test_name}/GIZMO") def download_test_files(test_name: str): @@ -36,9 +42,9 @@ def download_test_files(test_name: str): raise (FileNotFoundError(f"Could not find ICs and params for test {test_name}")) -def run_test(test_name: str, num_mpi_ranks: int=1):#, num_openmp_threads: int=0): +def run_test(test_name: str, num_mpi_ranks: int = 1): # , num_openmp_threads: int=0): """Runs the test""" - paramsfile = f"test/{test_name}/{test_name}.params" + paramsfile = f"{test_name}.params" system(f"mpirun -np {num_mpi_ranks} ./GIZMO {paramsfile} 0 1>test_{test_name}.out 2>test_{test_name}.err") @@ -51,10 +57,45 @@ def get_cooling_tables(): system("cp cooling/TREECOOL .") -def build_and_run_test(test_name: str, num_mpi_ranks: int=1, num_openmp_threads: int=0): +def build_and_run_test(test_name: str, num_mpi_ranks: int = 1, num_openmp_threads: int = 0): """Top-level routine that does all necessary building, downloading, and running of the test""" if num_openmp_threads > 0: - os.environ["OMP_NUM_THREADS"] = num_openmp_threads + environ["OMP_NUM_THREADS"] = num_openmp_threads build_gizmo_for_test(test_name) + chdir(f"test/{test_name}/") download_test_files(test_name) run_test(test_name, num_mpi_ranks) + chdir("../../") + + +def assert_snapshots_are_close( + snapshot1: str, + snapshot2: str, + fields_to_compare: tuple = ("Density", "Velocities", "InternalEnergy"), + rtol: float = 1e-2, + atol: float = 0, + plot_1D=False, +): + """Test-assert that the specified gas data fields in two snapshots are within specified tolerance""" + fields_to_read = ("ParticleIDs", "Coordinates") + fields_to_compare + + datafields = {snapshot1: {}, snapshot2: {}} + for s in snapshot1, snapshot2: + with h5py.File(s, "r") as F: # read + for f in fields_to_read: + datafields[s][f] = F["PartType0/" + f][:] + + id_order = datafields[s]["ParticleIDs"].argsort() + for f in fields_to_read: # sort by ID + datafields[s][f] = datafields[s][f][id_order] + + for f in fields_to_compare: + if plot_1D: + plt.plot(datafields[snapshot1]["Coordinates"][:, 0], datafields[snapshot1][f], ".", label="Initial") + plt.plot(datafields[snapshot2]["Coordinates"][:, 0], datafields[snapshot2][f], ".", label="Final") + plt.legend() + plt.ylabel(f) + plt.xlabel("x") + plt.savefig(f"{f}.png") + plt.close() + pytest.approx((datafields[snapshot1][f], datafields[snapshot2][f]), rel=rtol, abs=atol) diff --git a/scripts/gizmo_documentation.md b/scripts/gizmo_documentation.md index 8bc21c768..e094cc2cc 100644 --- a/scripts/gizmo_documentation.md +++ b/scripts/gizmo_documentation.md @@ -3781,7 +3781,7 @@ I've also made an effort to "pre-package" these as much as possible, so you can This is a simple linear one-dimensional traveling soundwave, following the example [here](http://www.astro.princeton.edu/~jstone/Athena/tests/linear-waves/linear-waves.html) -This is problem is analytically trivial; however, since virtually all schemes are first-order for discontinuities such as shocks, smooth linear problems with known analytic solutions are the only way to measure and quantitatively test the accuracy and formal convergence rate of numerical algorithms. We initialize a periodic domain of unit length, with a polytropic $\gamma=5/3$ gas with unit mean density and sound speed (so pressure $P=3/5$). We then add to this a traveling soundwave with small amplitude $\delta \rho/\rho = 10^{-6}$ (to avoid any non-linear effects) with unit wavelength. After the wave has propagated one wavelength ($t=1.5$), it should have returned exactly to its initial condition. +This is problem is analytically trivial; however, since virtually all schemes are first-order for discontinuities such as shocks, smooth linear problems with known analytic solutions are the only way to measure and quantitatively test the accuracy and formal convergence rate of numerical algorithms. We initialize a periodic domain of unit length, with a polytropic $\gamma=5/3$ gas with unit mean density and internal energy set such that the sound speed $c_s=2/3$. We then add to this a traveling soundwave with small amplitude $\delta \rho/\rho = 10^{-6}$ (to avoid any non-linear effects) with unit wavelength. After the wave has propagated one wavelength ($t=1.5$), it should have returned exactly to its initial condition. Initial conditions are `soundwave_ics.hdf5` diff --git a/test/build_gizmo_for_test.sh b/test/build_gizmo_for_test.sh index f720e4c27..28c360b16 100644 --- a/test/build_gizmo_for_test.sh +++ b/test/build_gizmo_for_test.sh @@ -1,5 +1,6 @@ # Generic commands to build GIZMO for a given test rm GIZMO +rm test/*/GIZMO cp test/$TEST_NAME/Config.sh . # retrieve the config file make diff --git a/test/gmc_cooling/Config.sh b/test/gmc_cooling/Config.sh index fa676154a..0d980af37 100644 --- a/test/gmc_cooling/Config.sh +++ b/test/gmc_cooling/Config.sh @@ -5,4 +5,4 @@ METALS COOL_METAL_LINES_BY_SPECIES BOX_PERIODIC GRAVITY_NOT_PERIODIC -ADAPTIVE_TREEFORCE_UPDATE=0.0625 \ No newline at end of file +ADAPTIVE_TREEFORCE_UPDATE=0.0625 diff --git a/test/soundwave/Config.sh b/test/soundwave/Config.sh new file mode 100644 index 000000000..40a4852a9 --- /dev/null +++ b/test/soundwave/Config.sh @@ -0,0 +1,7 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_SPATIAL_DIMENSION=1 +BOX_PERIODIC +SELFGRAVITY_OFF +EOS_GAMMA=(5.0/3.0) +INPUT_IN_DOUBLEPRECISION +OUTPUT_IN_DOUBLEPRECISION \ No newline at end of file diff --git a/test/soundwave/soundwave.params b/test/soundwave/soundwave.params new file mode 100644 index 000000000..db643b750 --- /dev/null +++ b/test/soundwave/soundwave.params @@ -0,0 +1,24 @@ +% Example compile-time options: +% (HYDRO_MESHLESS_FINITE_MASS is optional, replace with your +% choice of hydro/mhd options) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_SPATIAL_DIMENSION=1 +% BOX_PERIODIC +% SELFGRAVITY_OFF +% EOS_GAMMA=(5.0/3.0) +% +InitCondFile soundwave_ics +OutputDir output +TimeMax 1.5 +BoxSize 1 +TimeBetSnapshot 0.1 +DesNumNgb 4 +MaxMemSize 1000 +% -- optional numerical parameters (requires additional Config flags) +ErrTolIntAccuracy 0.01 +CourantFac 0.05 +MaxRMSDisplacementFac 0.1 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 + diff --git a/test/soundwave/test_soundwave.py b/test/soundwave/test_soundwave.py new file mode 100644 index 000000000..f81b3a7a9 --- /dev/null +++ b/test/soundwave/test_soundwave.py @@ -0,0 +1,17 @@ +"""GMC cooling and chemistry test""" + +import pytest +from gizmo.test import build_and_run_test, assert_snapshots_are_close +from os import path + + +@pytest.mark.parametrize("num_mpi_ranks", (1, 2, 4)) +def test_soundwave(num_mpi_ranks): + test_name = "soundwave" + build_and_run_test(test_name, num_mpi_ranks) + outputdir = f"test/{test_name}/output" + final_snap = outputdir + "/snapshot_015.hdf5" + if not path.isfile(final_snap): + raise (RuntimeError("GIZMO did not run successfully.")) + + assert_snapshots_are_close(outputdir + "/snapshot_000.hdf5", final_snap, rtol=1e-5, atol=1e-8, plot_1D=True) From 53e1d7c1e68fba9c1916ab5eb05e92caf072c6ea Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Thu, 19 Mar 2026 16:16:28 -0400 Subject: [PATCH 62/90] cleanup Makefile.systype --- Makefile.systype | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/Makefile.systype b/Makefile.systype index 5227dec36..fd294882e 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -6,9 +6,9 @@ # ############# -#SYSTYPE="github-ubuntu" +SYSTYPE="github-ubuntu" #SYSTYPE="Frontera" -SYSTYPE="MacBookCellar" +#SYSTYPE="MacBookCellar" #SYSTYPE="Expanse" #SYSTYPE="CaltechHPC" #SYSTYPE="RUSTY" From 1f931c0e2d5e9cfd81234ea1a8a17dc7cb8e8d11 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Thu, 19 Mar 2026 20:35:03 -0400 Subject: [PATCH 63/90] some fixes to path structure for tests --- python_src/gizmo/test.py | 8 ++++---- test/gmc_cooling/gmc_cooling.params | 2 +- test/gmc_cooling/test_gmc_cooling.py | 11 ++++++----- test/gmc_cooling_rt/gmc_cooling_rt.params | 2 +- test/gmc_cooling_rt/test_gmc_cooling_rt.py | 11 ++++++----- 5 files changed, 18 insertions(+), 16 deletions(-) diff --git a/python_src/gizmo/test.py b/python_src/gizmo/test.py index ddc581285..558b9b51c 100644 --- a/python_src/gizmo/test.py +++ b/python_src/gizmo/test.py @@ -48,13 +48,13 @@ def run_test(test_name: str, num_mpi_ranks: int = 1): # , num_openmp_threads: i system(f"mpirun -np {num_mpi_ranks} ./GIZMO {paramsfile} 0 1>test_{test_name}.out 2>test_{test_name}.err") -def get_cooling_tables(): +def get_cooling_tables(test_directory="."): """Downloads spcool_tables.tar.gz and copies TREECOOL to test directory""" url = "https://users.flatironinstitute.org/~mgrudic/gizmo_tests/spcool_tables.tgz" - urlretrieve(url, "./spcool_tables.tgz") - system("tar -xvf spcool_tables.tgz") - system("cp cooling/TREECOOL .") + urlretrieve(url, f"{test_directory}/spcool_tables.tgz") + system(f"tar -xvf {test_directory}/spcool_tables.tgz {test_directory}/; rm spcool_tables.tgz") + system(f"cp cooling/TREECOOL {test_directory}") def build_and_run_test(test_name: str, num_mpi_ranks: int = 1, num_openmp_threads: int = 0): diff --git a/test/gmc_cooling/gmc_cooling.params b/test/gmc_cooling/gmc_cooling.params index 666f4c473..9a0765e10 100644 --- a/test/gmc_cooling/gmc_cooling.params +++ b/test/gmc_cooling/gmc_cooling.params @@ -9,7 +9,7 @@ %---- Relevant files (filenames and directories) InitCondFile gmc_cooling_ics -OutputDir test/gmc_cooling/output +OutputDir output %---- File formats (input and output) ICFormat 3 % 1=unformatted (gadget) binary, 3=hdf5, 4=cluster diff --git a/test/gmc_cooling/test_gmc_cooling.py b/test/gmc_cooling/test_gmc_cooling.py index d7e3eecd3..1cae9d92a 100644 --- a/test/gmc_cooling/test_gmc_cooling.py +++ b/test/gmc_cooling/test_gmc_cooling.py @@ -24,13 +24,13 @@ def compute_test_statistic(f, save_reference_solution=False, plot=False): if save_reference_solution: # this option will save the current test solution as the reference solution - with h5py.File("gmc_cooling_exact.hdf5", "w") as F: + with h5py.File("test/gmc_cooling/gmc_cooling_exact.hdf5", "w") as F: F.create_dataset("PartType0/Metallicity", data=Z) F.create_dataset("PartType0/Density", data=rho) F.create_dataset("PartType0/Temperature", data=T) if plot: # generate a plot of n_H vs T for the test and benchmark solutions - with h5py.File("gmc_cooling_exact.hdf5", "r") as F: + with h5py.File("test/gmc_cooling/gmc_cooling_exact.hdf5", "r") as F: nH_ref = F["PartType0/Density"][:] * rho_to_nH T_ref = F["PartType0/Temperature"][:] plt.loglog(nH_ref, T_ref, ".", markersize=0.3, color="red", label="Benchmark") @@ -48,13 +48,14 @@ def compute_test_statistic(f, save_reference_solution=False, plot=False): return binned_statistic(nH, T, "median", nH_bins)[0] -@pytest.mark.parametrize("num_mpi_ranks", (1, 2, 4)) +@pytest.mark.parametrize("num_mpi_ranks", (1, 16)) def test_gmc_cooling(num_mpi_ranks): # specify the test name test_name = "gmc_cooling" + test_directory = "test/gmc_cooling" # download necessary cooling tables (needed for tests with COOLING flag) - get_cooling_tables() + get_cooling_tables(test_directory) # build GIZMO and run the test build_and_run_test(test_name, num_mpi_ranks) @@ -67,7 +68,7 @@ def test_gmc_cooling(num_mpi_ranks): test_stats = compute_test_statistic("test/gmc_cooling/output/snapshot_010.hdf5", plot=True) # compute that same test statistic from a benchmark snapshot - benchmark_stats = compute_test_statistic("gmc_cooling_exact.hdf5") + benchmark_stats = compute_test_statistic("test/gmc_cooling/gmc_cooling_exact.hdf5") # check that the test and benchmark agree within 10% assert np.all(np.isclose(test_stats, benchmark_stats, rtol=0.1)) diff --git a/test/gmc_cooling_rt/gmc_cooling_rt.params b/test/gmc_cooling_rt/gmc_cooling_rt.params index 09d2f965e..3d289ee90 100644 --- a/test/gmc_cooling_rt/gmc_cooling_rt.params +++ b/test/gmc_cooling_rt/gmc_cooling_rt.params @@ -9,7 +9,7 @@ %---- Relevant files (filenames and directories) InitCondFile gmc_cooling_rt_ics -OutputDir test/gmc_cooling_rt/output +OutputDir output %---- File formats (input and output) ICFormat 3 % 1=unformatted (gadget) binary, 3=hdf5, 4=cluster diff --git a/test/gmc_cooling_rt/test_gmc_cooling_rt.py b/test/gmc_cooling_rt/test_gmc_cooling_rt.py index 0a6e5eb40..419571bea 100644 --- a/test/gmc_cooling_rt/test_gmc_cooling_rt.py +++ b/test/gmc_cooling_rt/test_gmc_cooling_rt.py @@ -40,7 +40,7 @@ def compute_test_statistic(f, save_reference_solution=False, plot=False): # F.create_dataset("PartType0/Temperature", data=T) if plot: - with h5py.File("gmc_cooling_rt_exact.hdf5", "r") as F: + with h5py.File("test/gmc_cooling_rt/gmc_cooling_rt_exact.hdf5", "r") as F: XH = 1 - F["PartType0/Metallicity"][:, 0] - F["PartType0/Metallicity"][:, 1] xe_ref = F["PartType0/ElectronAbundance"][:] rho_ref = F["PartType0/Density"][:] @@ -110,14 +110,15 @@ def compute_test_statistic(f, save_reference_solution=False, plot=False): return np.array([binned_statistic(nH, s, "median", nH_bins)[0] for s in stats_to_check]) -@pytest.mark.parametrize("num_mpi_ranks", (1, 2, 4)) +@pytest.mark.parametrize("num_mpi_ranks", (1, 16)) def test_gmc_cooling_rt(num_mpi_ranks): test_name = "gmc_cooling_rt" - get_cooling_tables() + test_dir = "test/gmc_cooling_rt" + get_cooling_tables(test_dir) build_and_run_test(test_name, num_mpi_ranks) if not path.isfile("test/gmc_cooling_rt/output/snapshot_010.hdf5"): raise (RuntimeError("GIZMO did not run successfully.")) - test_stats = compute_test_statistic("test/gmc_cooling_rt/output/snapshot_010.hdf5", plot=True) - benchmark_stats = compute_test_statistic("gmc_cooling_rt_exact.hdf5") + test_stats = compute_test_statistic(test_dir + "/output/snapshot_010.hdf5", plot=True) + benchmark_stats = compute_test_statistic(test_dir + "/gmc_cooling_rt_exact.hdf5") assert np.all(np.isclose(test_stats, benchmark_stats, rtol=0.1)) From a3333a6b9d34b59cca885628566cbfbc2bf19944 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Fri, 20 Mar 2026 10:35:02 -0400 Subject: [PATCH 64/90] test directory structure and CI tweaks --- .github/workflows/c-cpp.yml | 19 ------------------- .github/workflows/pytest.yml | 3 ++- python_src/gizmo/test.py | 2 +- 3 files changed, 3 insertions(+), 21 deletions(-) delete mode 100644 .github/workflows/c-cpp.yml diff --git a/.github/workflows/c-cpp.yml b/.github/workflows/c-cpp.yml deleted file mode 100644 index aa46db3e8..000000000 --- a/.github/workflows/c-cpp.yml +++ /dev/null @@ -1,19 +0,0 @@ -name: C/C++ CI - -on: - push: - branches: [ "master","autotest"] - pull_request: - branches: [ "master","autotest" ] - -jobs: - build: - - runs-on: ubuntu-latest - - steps: - - uses: actions/checkout@v4 - - name: configure - run: ./configure - - name: make - run: make diff --git a/.github/workflows/pytest.yml b/.github/workflows/pytest.yml index f69272e50..346c33d14 100644 --- a/.github/workflows/pytest.yml +++ b/.github/workflows/pytest.yml @@ -4,7 +4,8 @@ name: pytest on: - [pull_request] + pull_request: + branches: ["starforge_dev"] jobs: build: diff --git a/python_src/gizmo/test.py b/python_src/gizmo/test.py index 558b9b51c..23a051060 100644 --- a/python_src/gizmo/test.py +++ b/python_src/gizmo/test.py @@ -53,7 +53,7 @@ def get_cooling_tables(test_directory="."): url = "https://users.flatironinstitute.org/~mgrudic/gizmo_tests/spcool_tables.tgz" urlretrieve(url, f"{test_directory}/spcool_tables.tgz") - system(f"tar -xvf {test_directory}/spcool_tables.tgz {test_directory}/; rm spcool_tables.tgz") + system(f"tar -xvf {test_directory}/spcool_tables.tgz -C {test_directory}/; rm spcool_tables.tgz") system(f"cp cooling/TREECOOL {test_directory}") From 202614e0291a86c6a281c65afa5250bfa80c823d Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Mon, 23 Mar 2026 17:03:24 -0400 Subject: [PATCH 65/90] add mhd_wave test, including adjustment to the floor on MaxNumNgbDeviation to make it possible to converge on the density perturbation in the density iteration --- core/begrun.cc | 2 ++ test/mhd_wave/Config.sh | 9 +++++++++ test/mhd_wave/mhd_wave.params | 27 +++++++++++++++++++++++++++ test/mhd_wave/test_mhd_wave.py | 24 ++++++++++++++++++++++++ test/soundwave/Config.sh | 3 ++- test/soundwave/soundwave.params | 7 +++++-- test/soundwave/test_soundwave.py | 2 +- 7 files changed, 70 insertions(+), 4 deletions(-) create mode 100644 test/mhd_wave/Config.sh create mode 100644 test/mhd_wave/mhd_wave.params create mode 100644 test/mhd_wave/test_mhd_wave.py diff --git a/core/begrun.cc b/core/begrun.cc index fa16c748a..42386779a 100644 --- a/core/begrun.cc +++ b/core/begrun.cc @@ -2547,7 +2547,9 @@ void read_parameter_file(char *fname) #ifdef GALSF All.MaxNumNgbDeviation = All.DesNumNgb / 64.; #endif +#if NUMDIMS==3 if(All.MaxNumNgbDeviation < 0.05) All.MaxNumNgbDeviation = 0.05; +#endif #ifdef EOS_ELASTIC All.MaxNumNgbDeviation /= 20.0; #endif diff --git a/test/mhd_wave/Config.sh b/test/mhd_wave/Config.sh new file mode 100644 index 000000000..fe942405c --- /dev/null +++ b/test/mhd_wave/Config.sh @@ -0,0 +1,9 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +BOX_SPATIAL_DIMENSION=1 +EOS_GAMMA=(5.0/3.0) +MAGNETIC +SELFGRAVITY_OFF +INPUT_IN_DOUBLEPRECISION +OUTPUT_IN_DOUBLEPRECISION +#DEVELOPER_MODE diff --git a/test/mhd_wave/mhd_wave.params b/test/mhd_wave/mhd_wave.params new file mode 100644 index 000000000..738058e66 --- /dev/null +++ b/test/mhd_wave/mhd_wave.params @@ -0,0 +1,27 @@ +% Example compile-time options: +% (HYDRO_MESHLESS_FINITE_MASS is optional, replace with your +% choice of hydro/mhd options) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% BOX_SPATIAL_DIMENSION=1 +% EOS_GAMMA=(5.0/3.0) +% MAGNETIC +% SELFGRAVITY_OFF +% +% +InitCondFile mhd_wave_ics +OutputDir output +TimeMax 0.5 +BoxSize 1 +TimeBetSnapshot 0.05 +MaxSizeTimestep 0.1 +DesNumNgb 4 +MaxMemSize 1000 +% -- optional numerical parameters (requires additional Config flags) +ErrTolIntAccuracy 0.01 +CourantFac 0.2 +MaxRMSDisplacementFac 0.1 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 +MaxNumNgbDeviation 1e-6 diff --git a/test/mhd_wave/test_mhd_wave.py b/test/mhd_wave/test_mhd_wave.py new file mode 100644 index 000000000..509fba19a --- /dev/null +++ b/test/mhd_wave/test_mhd_wave.py @@ -0,0 +1,24 @@ +"""MHD linear wave propagation test (Hopkins & Raives 2015)""" + +import pytest +from gizmo.test import build_and_run_test, assert_snapshots_are_close +from os import path + + +@pytest.mark.parametrize("num_mpi_ranks", (12,)) +def test_mhd_wave(num_mpi_ranks): + test_name = "mhd_wave" + build_and_run_test(test_name, num_mpi_ranks) + outputdir = f"test/{test_name}/output" + final_snap = outputdir + "/snapshot_010.hdf5" + if not path.isfile(final_snap): + raise (RuntimeError("GIZMO did not run successfully.")) + + assert_snapshots_are_close( + outputdir + "/snapshot_000.hdf5", + final_snap, + fields_to_compare=("Density", "Velocities", "InternalEnergy", "MagneticField"), + rtol=1e-7, + atol=1e-7, + plot_1D=True, + ) diff --git a/test/soundwave/Config.sh b/test/soundwave/Config.sh index 40a4852a9..238a62f46 100644 --- a/test/soundwave/Config.sh +++ b/test/soundwave/Config.sh @@ -4,4 +4,5 @@ BOX_PERIODIC SELFGRAVITY_OFF EOS_GAMMA=(5.0/3.0) INPUT_IN_DOUBLEPRECISION -OUTPUT_IN_DOUBLEPRECISION \ No newline at end of file +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/soundwave/soundwave.params b/test/soundwave/soundwave.params index db643b750..97b62de9e 100644 --- a/test/soundwave/soundwave.params +++ b/test/soundwave/soundwave.params @@ -14,11 +14,14 @@ TimeMax 1.5 BoxSize 1 TimeBetSnapshot 0.1 DesNumNgb 4 +MaxNumNgbDeviation 1e-6 MaxMemSize 1000 % -- optional numerical parameters (requires additional Config flags) ErrTolIntAccuracy 0.01 -CourantFac 0.05 +CourantFac 0.2 MaxRMSDisplacementFac 0.1 ErrTolForceAcc 0.001 TimeBetStatistics 0.5 - +ResubmitOn 0 +ResubmitCommand none +ErrTolTheta 0.7 \ No newline at end of file diff --git a/test/soundwave/test_soundwave.py b/test/soundwave/test_soundwave.py index f81b3a7a9..c9a6e362d 100644 --- a/test/soundwave/test_soundwave.py +++ b/test/soundwave/test_soundwave.py @@ -5,7 +5,7 @@ from os import path -@pytest.mark.parametrize("num_mpi_ranks", (1, 2, 4)) +@pytest.mark.parametrize("num_mpi_ranks", (12,)) def test_soundwave(num_mpi_ranks): test_name = "soundwave" build_and_run_test(test_name, num_mpi_ranks) From 4e28d19c5b71a62e8f4cf1236c958a210b513542 Mon Sep 17 00:00:00 2001 From: Philip Hopkins Date: Thu, 26 Mar 2026 10:35:04 -0700 Subject: [PATCH 66/90] edit to try to restore correct behavior on dust sublimation --- radiation/rt_dust_opacity.cc | 10 +++++++--- 1 file changed, 7 insertions(+), 3 deletions(-) diff --git a/radiation/rt_dust_opacity.cc b/radiation/rt_dust_opacity.cc index 9fa1cd42e..5314d5fb1 100644 --- a/radiation/rt_dust_opacity.cc +++ b/radiation/rt_dust_opacity.cc @@ -68,13 +68,17 @@ MyFloat dust_planck_mean_opacity(MyFloat Trad, MyFloat Tdust) { MyFloat logT = log10(Trad); int Tdust_idx; - for (Tdust_idx = 0; Tdust_idx < N_TDUST + 1; Tdust_idx++) { + for (Tdust_idx = 0; Tdust_idx < N_TDUST; Tdust_idx++) { if (Tdust < Tdust_zones[Tdust_idx]) { break; } } - if (Tdust_idx == N_TDUST + 1) { // Tdust is hot so dust is sublimated; return smol value - return MIN_REAL_NUMBER; + if (Tdust_idx >= N_TDUST) { // Tdust exceeds table max +#if defined(RT_OPACITY_FROM_EXPLICIT_GRAINS) || (defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE)) || defined(RT_INFRARED) || (defined(COOL_LOW_TEMPERATURES) && !defined(SINGLE_STAR_SINK_DYNAMICS)) + Tdust_idx = N_TDUST-1; // Tdust is hot but we have explicit grain model and need IR opacity to calculate dust-to-gas ratios, so return max table value +#else + return MIN_REAL_NUMBER; // Tdust is hot so dust is sublimated; return smol value +#endif } if (logT >= logTmax) { From 1cd4a613455b4b527d7672dccdcfe418c12b0db4 Mon Sep 17 00:00:00 2001 From: Philip Hopkins Date: Fri, 27 Mar 2026 04:17:32 -0700 Subject: [PATCH 67/90] edited star-cluster merger routine to account for extended formation time of star clusters, to prevent over-merging of star clusters. This is a temporary fix until we can implement a more robust solution that accounts for the formation time of star clusters in a more accurate way. --- mesh/merge_split.cc | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/mesh/merge_split.cc b/mesh/merge_split.cc index 7e8e16ed4..885e47af8 100644 --- a/mesh/merge_split.cc +++ b/mesh/merge_split.cc @@ -1259,7 +1259,11 @@ int evaluate_starstar_merger_for_starcluster_eligibility(int i) if(All.Time <= All.TimeBegin) {return 0;} // don't allow on first timestep if(P[i].Type != 4) {return 0;} // only stars if(P[i].Mass*UNIT_MASS_IN_SOLAR > 1.e6) {return 0;} // stop merging beyond a certain point, only want to downgrade the resolution so much - if(evaluate_stellar_age_Gyr(i) < 0.05) {return 0;} // sufficiently old (don't want to do this for extremely young stars as messes up feedback and early dynamics) + double dt_gyr = evaluate_stellar_age_Gyr(i), dt_threshold_gyr = 0.05; +#ifdef GALSF_SFR_IMF_SAMPLING_DISTRIBUTE_SF + dt_gyr -= P[i].TimeDistribOfStarFormation*UNIT_TIME_IN_GYR; // want to be sure we're this far past the last possible star that formed +#endif + if(dt_gyr < dt_threshold_gyr) {return 0;} // sufficiently old (don't want to do this for extremely young stars as messes up feedback and early dynamics) #ifdef ADAPTIVE_GRAVSOFT_FROM_TIDAL_CRITERION // need to figure out if the new version of this makes sense double r_NGB = 1.25 * pow((All.DesNumNgb*All.G*P[i].Mass)/P[i].tidal_tensor_mag_prev , 1./3.); // kernel size enclosing some target neighbor number in a constant-density medium if(r_NGB > 0.5*ForceSoftening_KernelRadius(i)) {return 0;} // sufficiently dense region (need to have effective nearest-neighbor spacing approaching the minimum softening, with some arbitrary threshold we set) From 9cb7876607cd51c4aaac56983934025f206de670 Mon Sep 17 00:00:00 2001 From: Philip Hopkins Date: Fri, 27 Mar 2026 08:40:37 -0700 Subject: [PATCH 68/90] added catch for starcluster merger module without tidal info, to use timestep criterion to not bother with stars on large timesteps since not needed --- mesh/merge_split.cc | 9 +++------ 1 file changed, 3 insertions(+), 6 deletions(-) diff --git a/mesh/merge_split.cc b/mesh/merge_split.cc index 885e47af8..4437ad97c 100644 --- a/mesh/merge_split.cc +++ b/mesh/merge_split.cc @@ -1267,18 +1267,15 @@ int evaluate_starstar_merger_for_starcluster_eligibility(int i) #ifdef ADAPTIVE_GRAVSOFT_FROM_TIDAL_CRITERION // need to figure out if the new version of this makes sense double r_NGB = 1.25 * pow((All.DesNumNgb*All.G*P[i].Mass)/P[i].tidal_tensor_mag_prev , 1./3.); // kernel size enclosing some target neighbor number in a constant-density medium if(r_NGB > 0.5*ForceSoftening_KernelRadius(i)) {return 0;} // sufficiently dense region (need to have effective nearest-neighbor spacing approaching the minimum softening, with some arbitrary threshold we set) -#else -#ifdef COMPUTE_TIDAL_TENSOR_IN_GRAVTREE +#elif defined(COMPUTE_TIDAL_TENSOR_IN_GRAVTREE) double h_i=ForceSoftening_KernelRadius(i), tidal_mag=0., fac_self=-P[i].Mass*kernel_gravity(0.,1.,1.,1)/(h_i*h_i*h_i); int k,j; // get what's needed for tidal tensor computation - //for(k=0;k<3;k++) {for(j=0;j<3;j++) {double ttkj=P[i].tidal_tensorps[k][j]; if(j==k) {ttkj+=fac_self;} // compute tidal tensor including self-contribution - // tidal_mag+=ttkj*ttkj;}} // want the frobenius norm for(k=0;k<3;k++) {tidal_mag -= P[i].tidal_tensorps[k][k];} // want the trace, actually, and in general this -shouldn't- include the self-contribution if(tidal_mag > 0) { - //tidal_mag = sqrt(tidal_mag); // squared norm. note this is in code units double ngb_dist = 1.25 * pow( (All.DesNumNgb * All.G * P[i].Mass / tidal_mag) , 1./3. ); // distance to the N'th nearest-neighbor if(ngb_dist > h_i) {return 0;} // sufficiently dense region (need to have effective nearest-neighbor spacing approaching the minimum softening, with some arbitrary threshold we set) } -#endif +#else + if(GET_PARTICLE_TIMESTEP_IN_PHYSICAL(i)*UNIT_TIME_IN_GYR*1000. > 0.01) {return 0;} // if the particle is taking a very long timestep, it's probably in a very low-density region, so don't allow it to merge (this is a crude proxy for the local density, but it's very fast to check and works well in practice) #endif return 1; // allow this particle to -consider- the possibility of a merger } From e5ae7154a723b5de37d82f04556e93074a8ce1ec Mon Sep 17 00:00:00 2001 From: Philip Hopkins Date: Fri, 27 Mar 2026 08:41:39 -0700 Subject: [PATCH 69/90] slight tweaks to default split method to minimize perturbations to density on splits --- mesh/merge_split.cc | 35 +++++++++++++++++++++++++++-------- 1 file changed, 27 insertions(+), 8 deletions(-) diff --git a/mesh/merge_split.cc b/mesh/merge_split.cc index 4437ad97c..58790302f 100644 --- a/mesh/merge_split.cc +++ b/mesh/merge_split.cc @@ -454,15 +454,18 @@ int split_particle_i(int i, int n_particles_split, int i_nearest) k=0; phi = 2.0*M_PI*get_random_number(i+1+ThisTask); // random from 0 to 2pi // cos_theta = 2.0*(get_random_number(i+3+2*ThisTask)-0.5); // random between 1 to -1 // - double d_r = 0.25 * KERNEL_CORE_SIZE*P[i].KernelRadius; // needs to be epsilon*KernelRadius where epsilon<<1, to maintain stability // - double dp[3], r_near=0; for(k = 0; k < 3; k++) {dp[k] =P[i].Pos[k] - P[i_nearest].Pos[k];} + double dp[3], r_near=0; for(k = 0; k < 3; k++) {dp[k] = P[i].Pos[k] - P[i_nearest].Pos[k];} NEAREST_XYZ(dp[0],dp[1],dp[2],1); for(k = 0; k < 3; k++) {r_near += dp[k]*dp[k];} r_near = sqrt(r_near); - d_r = DMIN(d_r , 0.35 * r_near); // use a 'buffer' to limit to some multiple of the distance to the nearest particle // -#if defined(FIRE_SUPERLAGRANGIAN_JEANS_REFINEMENT) || defined(SINGLE_STAR_AND_SSP_HYBRID_MODEL_DEFAULTS) || defined(SINGLE_STAR_AND_SSP_NUCLEAR_ZOOM) - double dx_eff = Get_Particle_Size(i), dx_h = KERNEL_CORE_SIZE * P[i].KernelRadius; dx_eff = DMAX(DMIN(dx_eff,3.*dx_h),0.1*dx_h); dx_h = r_near; dx_eff = DMAX(DMIN(dx_eff,3.*dx_h),0.1*dx_h); d_r = 0.39685*dx_eff; // this allows a larger split in order to reduce artefacts in more aggressive splits, at the expense of more diffusion of the original mass // -#endif + /* set d_r to the Voronoi-optimal daughter offset: d = (V_daughter)^{1/NDIMS}/2 = 2^{-(NDIMS+1)/NDIMS} * dx_eff, + placing each daughter at its sub-cell centroid. minimizes O(d^2) perturbations to neighbor density estimates + while maintaining a glass-like configuration. dimension-general: 0.397*dx_eff in 3D, 0.354 in 2D, 0.25 in 1D */ + double dx_eff = Get_Particle_Size(i), dx_h = KERNEL_CORE_SIZE * P[i].KernelRadius; + dx_eff = DMAX(DMIN(dx_eff, 3.*dx_h), 0.1*dx_h); // clamp to reasonable range relative to kernel radius + dx_h = r_near; dx_eff = DMAX(DMIN(dx_eff, 3.*dx_h), 0.1*dx_h); // clamp to reasonable range relative to nearest-neighbor distance + double d_r = pow(0.5, (NUMDIMS + 1.) / (double)NUMDIMS) * dx_eff; // 2^{-(NDIMS+1)/NDIMS} * dx_eff + d_r = DMIN(d_r, 0.4 * r_near); // keep displacement well within nearest-neighbor distance /* double r_near = sqrt(r2_nearest); double rkern = Get_Particle_Size(i); @@ -639,9 +642,25 @@ int split_particle_i(int i, int n_particles_split, int i_nearest) double qq = get_random_number(63432*k + 84*i + 99*j + 358453 + 84537*ThisTask); if(qq < 0.5) {norm *= -1.;} // randomly decide which direction along principle axis to orient split (since this is arbitrary, this helps prevent accidental collisions) for(k=0;k 0 && CellP[i].Density > 0) { + double relative_gradient = grad_rho_norm * Get_Particle_Size(i) / CellP[i].Density; // dimensionless: |grad_rho|*dx/rho + if(relative_gradient > 0.1) { // non-trivial gradient: project dp onto isodensity plane + double dot=0; for(k=0;k 0.1) {for(k=0;k Date: Fri, 27 Mar 2026 12:51:50 -0400 Subject: [PATCH 70/90] pull in python_src and test changes from domain_optimization_omp Adds ~30 new test suites and updates test harness infrastructure. Co-Authored-By: Claude Opus 4.6 (1M context) --- python_src/gizmo/test.py | 146 +++++- test/blob/Config.sh | 9 + test/blob/blob.params | 30 ++ test/blob/test_blob.py | 78 ++++ test/briowu/Config.sh | 11 + test/briowu/briowu.params | 31 ++ test/briowu/test_briowu.py | 52 +++ test/build_gizmo_for_test.sh | 2 +- test/core/Config.sh | 10 + test/core/core.params | 51 ++ test/core/test_core.py | 54 +++ test/currentsheet/Config.sh | 7 + test/currentsheet/currentsheet.params | 27 ++ test/currentsheet/test_currentsheet.py | 53 +++ test/dustywave/Config.sh | 10 + test/dustywave/dustywave.params | 32 ++ test/dustywave/test_dustywave.py | 82 ++++ test/evrard/Config.sh | 5 + test/evrard/evrard.params | 31 ++ test/evrard/test_evrard.py | 100 ++++ test/field_loop/Config.sh | 7 + test/field_loop/field_loop.params | 28 ++ test/field_loop/test_field_loop.py | 41 ++ test/gmc_cooling/test_gmc_cooling.py | 19 +- test/gmc_cooling_rt/test_gmc_cooling_rt.py | 17 +- test/gresho/Config.sh | 7 + test/gresho/gresho.params | 28 ++ test/gresho/test_gresho.py | 67 +++ test/interactblast/Config.sh | 9 + test/interactblast/interactblast.params | 28 ++ test/interactblast/test_interactblast.py | 61 +++ test/isodisk/Config.sh | 7 + test/isodisk/isodisk.params | 42 ++ test/isodisk/test_isodisk.py | 74 +++ test/keplerian/Config.sh | 9 + test/keplerian/keplerian.params | 27 ++ test/keplerian/test_keplerian.py | 73 +++ test/kh_mcnally_2d/Config.sh | 8 + test/kh_mcnally_2d/kh_mcnally_2d.params | 26 ++ test/kh_mcnally_2d/test_kh_mcnally_2d.py | 60 +++ test/kh_wengen/Config.sh | 9 + test/kh_wengen/kh_wengen.params | 33 ++ test/kh_wengen/test_kh_wengen.py | 59 +++ test/mhd_blast/Config.sh | 8 + test/mhd_blast/mhd_blast.params | 28 ++ test/mhd_blast/test_mhd_blast.py | 73 +++ test/mhd_wave/Config.sh | 2 +- test/mhd_wave/mhd_wave.params | 5 + test/mhd_wave/test_mhd_wave.py | 28 +- test/mri/Config.sh | 11 + test/mri/mri.params | 43 ++ test/mri/test_mri.py | 55 +++ test/noh/Config.sh | 6 + test/noh/noh.params | 25 + test/noh/test_noh.py | 84 ++++ test/orszag_tang/Config.sh | 7 + test/orszag_tang/orszag_tang.params | 27 ++ test/orszag_tang/test_orszag_tang.py | 61 +++ test/ring_collision/Config.sh | 8 + test/ring_collision/ring_collision.params | 40 ++ test/ring_collision/test_ring_collision.py | 70 +++ test/rotor/Config.sh | 8 + test/rotor/rotor.params | 28 ++ test/rotor/test_rotor.py | 73 +++ test/rt/Config.sh | 12 + test/rt/rt.params | 30 ++ test/rt/test_rt.py | 76 +++ test/sbcluster/Config.sh | 7 + test/sbcluster/sbcluster.params | 48 ++ test/sbcluster/test_sbcluster.py | 86 ++++ test/sedov/Config.sh | 6 + test/sedov/sedov.params | 29 ++ test/sedov/test_sedov.py | 103 ++++ test/shocktube/Config.sh | 8 + test/shocktube/shocktube.params | 25 + test/shocktube/test_shocktube.py | 86 ++++ test/shu1977/Config.sh | 3 + test/shu1977/README.md | 10 + test/shu1977/shu1977.params | 293 ++++++++++++ test/shu1977/test_shu1977.py | 48 ++ test/soundwave/test_soundwave.py | 26 +- test/square/Config.sh | 7 + test/square/square.params | 25 + test/square/test_square.py | 69 +++ test/toth/Config.sh | 11 + test/toth/test_toth.py | 49 ++ test/toth/toth.params | 30 ++ test/unit/test_harness.h | 86 ++++ test/unit/test_math_types.cc | 517 +++++++++++++++++++++ test/unit/test_unit.py | 39 ++ test/zeldovich/Config.sh | 7 + test/zeldovich/test_zeldovich.py | 86 ++++ test/zeldovich/zeldovich.params | 52 +++ test/zeldovich_mhd/Config.sh | 8 + test/zeldovich_mhd/test_zeldovich_mhd.py | 66 +++ test/zeldovich_mhd/zeldovich_mhd.params | 55 +++ 96 files changed, 4186 insertions(+), 67 deletions(-) create mode 100644 test/blob/Config.sh create mode 100644 test/blob/blob.params create mode 100644 test/blob/test_blob.py create mode 100644 test/briowu/Config.sh create mode 100644 test/briowu/briowu.params create mode 100644 test/briowu/test_briowu.py create mode 100644 test/core/Config.sh create mode 100644 test/core/core.params create mode 100644 test/core/test_core.py create mode 100644 test/currentsheet/Config.sh create mode 100644 test/currentsheet/currentsheet.params create mode 100644 test/currentsheet/test_currentsheet.py create mode 100644 test/dustywave/Config.sh create mode 100644 test/dustywave/dustywave.params create mode 100644 test/dustywave/test_dustywave.py create mode 100644 test/evrard/Config.sh create mode 100644 test/evrard/evrard.params create mode 100644 test/evrard/test_evrard.py create mode 100644 test/field_loop/Config.sh create mode 100644 test/field_loop/field_loop.params create mode 100644 test/field_loop/test_field_loop.py create mode 100644 test/gresho/Config.sh create mode 100644 test/gresho/gresho.params create mode 100644 test/gresho/test_gresho.py create mode 100644 test/interactblast/Config.sh create mode 100644 test/interactblast/interactblast.params create mode 100644 test/interactblast/test_interactblast.py create mode 100644 test/isodisk/Config.sh create mode 100644 test/isodisk/isodisk.params create mode 100644 test/isodisk/test_isodisk.py create mode 100644 test/keplerian/Config.sh create mode 100644 test/keplerian/keplerian.params create mode 100644 test/keplerian/test_keplerian.py create mode 100644 test/kh_mcnally_2d/Config.sh create mode 100644 test/kh_mcnally_2d/kh_mcnally_2d.params create mode 100644 test/kh_mcnally_2d/test_kh_mcnally_2d.py create mode 100644 test/kh_wengen/Config.sh create mode 100644 test/kh_wengen/kh_wengen.params create mode 100644 test/kh_wengen/test_kh_wengen.py create mode 100644 test/mhd_blast/Config.sh create mode 100644 test/mhd_blast/mhd_blast.params create mode 100644 test/mhd_blast/test_mhd_blast.py create mode 100644 test/mri/Config.sh create mode 100644 test/mri/mri.params create mode 100644 test/mri/test_mri.py create mode 100644 test/noh/Config.sh create mode 100644 test/noh/noh.params create mode 100644 test/noh/test_noh.py create mode 100644 test/orszag_tang/Config.sh create mode 100644 test/orszag_tang/orszag_tang.params create mode 100644 test/orszag_tang/test_orszag_tang.py create mode 100644 test/ring_collision/Config.sh create mode 100644 test/ring_collision/ring_collision.params create mode 100644 test/ring_collision/test_ring_collision.py create mode 100644 test/rotor/Config.sh create mode 100644 test/rotor/rotor.params create mode 100644 test/rotor/test_rotor.py create mode 100644 test/rt/Config.sh create mode 100644 test/rt/rt.params create mode 100644 test/rt/test_rt.py create mode 100644 test/sbcluster/Config.sh create mode 100644 test/sbcluster/sbcluster.params create mode 100644 test/sbcluster/test_sbcluster.py create mode 100644 test/sedov/Config.sh create mode 100644 test/sedov/sedov.params create mode 100644 test/sedov/test_sedov.py create mode 100644 test/shocktube/Config.sh create mode 100644 test/shocktube/shocktube.params create mode 100644 test/shocktube/test_shocktube.py create mode 100644 test/shu1977/Config.sh create mode 100644 test/shu1977/README.md create mode 100755 test/shu1977/shu1977.params create mode 100644 test/shu1977/test_shu1977.py create mode 100644 test/square/Config.sh create mode 100644 test/square/square.params create mode 100644 test/square/test_square.py create mode 100644 test/toth/Config.sh create mode 100644 test/toth/test_toth.py create mode 100644 test/toth/toth.params create mode 100644 test/unit/test_harness.h create mode 100644 test/unit/test_math_types.cc create mode 100644 test/unit/test_unit.py create mode 100644 test/zeldovich/Config.sh create mode 100644 test/zeldovich/test_zeldovich.py create mode 100644 test/zeldovich/zeldovich.params create mode 100644 test/zeldovich_mhd/Config.sh create mode 100644 test/zeldovich_mhd/test_zeldovich_mhd.py create mode 100644 test/zeldovich_mhd/zeldovich_mhd.params diff --git a/python_src/gizmo/test.py b/python_src/gizmo/test.py index 23a051060..439c393e4 100644 --- a/python_src/gizmo/test.py +++ b/python_src/gizmo/test.py @@ -1,17 +1,62 @@ """General routines to build gizmo for a test and obtain ICs and params files""" -from os import system, environ, path, chdir +from os import system, environ, path, chdir, cpu_count, remove from urllib.request import urlretrieve, HTTPError -from shutil import move +from shutil import move, rmtree +from glob import glob import pytest from matplotlib import pyplot as plt +from mpl_toolkits.axes_grid1 import make_axes_locatable import h5py -def build_gizmo_for_test(test_name: str): - """Sets environment variables and runs a script for building gizmo for a given test""" - environ["TEST_NAME"] = test_name - system("bash test/build_gizmo_for_test.sh") +def flush_colorbar(mappable, ax=None, label=None, **kwargs): + """Add a colorbar that is flush with the axes and lines up with its edges.""" + if ax is None: + ax = mappable.axes + fig = ax.get_figure() + divider = make_axes_locatable(ax) + cax = divider.append_axes("right", size="5%", pad=0.05) + return fig.colorbar(mappable, cax=cax, label=label, **kwargs) + + +def clean_test_outputs(test_name: str): + """Remove output directory, plot PNGs, and log files from a previous test run.""" + test_dir = f"test/{test_name}" + output_dir = path.join(test_dir, "output") + if path.isdir(output_dir): + rmtree(output_dir) + for f in glob(path.join(test_dir, "*.png")): + remove(f) + for f in glob(path.join(test_dir, f"test_{test_name}.out")): + remove(f) + for f in glob(path.join(test_dir, f"test_{test_name}.err")): + remove(f) + + +def default_omp_threads(): + """Return the default number of OpenMP threads for tests.""" + return 2 + + +def default_mpi_ranks(max_ranks=None): + """Return the number of MPI ranks to use, defaulting to half the available CPU count + (to leave room for OpenMP threads). Optionally cap at max_ranks.""" + n = cpu_count() // 2 + if max_ranks is not None: + n = min(n, max_ranks) + return max(n, 1) + + +def build_gizmo_for_test(test_name: str, num_openmp_threads: int = 0): + """Sets environment variables and runs a script for building gizmo for a given test. + If num_openmp_threads > 0, appends OPENMP= to Config.sh before building.""" + system("rm -f GIZMO test/*/GIZMO") + system(f"cp test/{test_name}/Config.sh .") + if num_openmp_threads > 0: + with open("Config.sh", "a") as f: + f.write(f"\nOPENMP={num_openmp_threads}\n") + system("make clean && make -j8") if not path.isfile("GIZMO"): raise FileNotFoundError("Did not successfully build GIZMO") move("GIZMO", f"test/{test_name}/GIZMO") @@ -42,10 +87,12 @@ def download_test_files(test_name: str): raise (FileNotFoundError(f"Could not find ICs and params for test {test_name}")) -def run_test(test_name: str, num_mpi_ranks: int = 1): # , num_openmp_threads: int=0): - """Runs the test""" +def run_test(test_name: str, num_mpi_ranks: int = 1, num_openmp_threads: int = 0): + """Runs the test. If num_openmp_threads > 0, sets OMP_NUM_THREADS for the run.""" + if num_openmp_threads > 0: + environ["OMP_NUM_THREADS"] = str(num_openmp_threads) paramsfile = f"{test_name}.params" - system(f"mpirun -np {num_mpi_ranks} ./GIZMO {paramsfile} 0 1>test_{test_name}.out 2>test_{test_name}.err") + system(f"mpirun -np {num_mpi_ranks} --use-hwthread-cpus ./GIZMO {paramsfile} 0 1>test_{test_name}.out 2>test_{test_name}.err") def get_cooling_tables(test_directory="."): @@ -59,25 +106,57 @@ def get_cooling_tables(test_directory="."): def build_and_run_test(test_name: str, num_mpi_ranks: int = 1, num_openmp_threads: int = 0): """Top-level routine that does all necessary building, downloading, and running of the test""" - if num_openmp_threads > 0: - environ["OMP_NUM_THREADS"] = num_openmp_threads - build_gizmo_for_test(test_name) + clean_test_outputs(test_name) + build_gizmo_for_test(test_name, num_openmp_threads) chdir(f"test/{test_name}/") download_test_files(test_name) - run_test(test_name, num_mpi_ranks) + run_test(test_name, num_mpi_ranks, num_openmp_threads) chdir("../../") +def parse_params(params_file: str) -> dict: + """Parse a GIZMO parameter file and return a dict of key-value pairs.""" + params = {} + with open(params_file) as f: + for line in f: + line = line.split("%")[0].strip() + if not line: + continue + parts = line.split() + if len(parts) >= 2: + params[parts[0]] = parts[1] + return params + + +def get_final_snapshot(test_name: str) -> str: + """Return the path to the last snapshot produced by a test.""" + snaps = sorted(glob(f"test/{test_name}/output/snapshot_*.hdf5")) + if not snaps: + raise RuntimeError(f"No snapshots found for test {test_name}") + return snaps[-1] + + +def assert_final_time(snapshot_file: str, test_name: str, rtol: float = 1e-6): + """Assert that the snapshot time matches TimeMax from the test's parameter file.""" + params_file = f"test/{test_name}/{test_name}.params" + params = parse_params(params_file) + time_max = float(params["TimeMax"]) + with h5py.File(snapshot_file, "r") as F: + time = float(F["Header"].attrs["Time"]) + assert abs(time - time_max) < rtol * abs(time_max), ( + f"Snapshot time {time} does not match TimeMax {time_max} (rtol={rtol})" + ) + + def assert_snapshots_are_close( snapshot1: str, snapshot2: str, fields_to_compare: tuple = ("Density", "Velocities", "InternalEnergy"), rtol: float = 1e-2, atol: float = 0, - plot_1D=False, ): """Test-assert that the specified gas data fields in two snapshots are within specified tolerance""" - fields_to_read = ("ParticleIDs", "Coordinates") + fields_to_compare + fields_to_read = ("ParticleIDs",) + fields_to_compare datafields = {snapshot1: {}, snapshot2: {}} for s in snapshot1, snapshot2: @@ -90,12 +169,33 @@ def assert_snapshots_are_close( datafields[s][f] = datafields[s][f][id_order] for f in fields_to_compare: - if plot_1D: - plt.plot(datafields[snapshot1]["Coordinates"][:, 0], datafields[snapshot1][f], ".", label="Initial") - plt.plot(datafields[snapshot2]["Coordinates"][:, 0], datafields[snapshot2][f], ".", label="Final") - plt.legend() - plt.ylabel(f) - plt.xlabel("x") - plt.savefig(f"{f}.png") - plt.close() pytest.approx((datafields[snapshot1][f], datafields[snapshot2][f]), rel=rtol, abs=atol) + + +def plot_1D_snapshot_comparison( + snapshot1: str, + snapshot2: str, + fields_to_plot: tuple = ("Density", "Velocities", "InternalEnergy"), + output_dir: str = ".", +): + """Plot 1D comparison of gas data fields between two snapshots, sorted by particle ID.""" + fields_to_read = ("ParticleIDs", "Coordinates") + fields_to_plot + + datafields = {snapshot1: {}, snapshot2: {}} + for s in snapshot1, snapshot2: + with h5py.File(s, "r") as F: + for f in fields_to_read: + datafields[s][f] = F["PartType0/" + f][:] + + id_order = datafields[s]["ParticleIDs"].argsort() + for f in fields_to_read: + datafields[s][f] = datafields[s][f][id_order] + + for f in fields_to_plot: + plt.plot(datafields[snapshot1]["Coordinates"][:, 0], datafields[snapshot1][f], ".", label="Initial") + plt.plot(datafields[snapshot2]["Coordinates"][:, 0], datafields[snapshot2][f], ".", label="Final") + plt.legend() + plt.ylabel(f) + plt.xlabel("x") + plt.savefig(path.join(output_dir, f"{f}.png")) + plt.close() diff --git a/test/blob/Config.sh b/test/blob/Config.sh new file mode 100644 index 000000000..826e7b8fe --- /dev/null +++ b/test/blob/Config.sh @@ -0,0 +1,9 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +BOX_LONG_X=1 +BOX_LONG_Y=1 +BOX_LONG_Z=3 +SELFGRAVITY_OFF +EOS_GAMMA=(5.0/3.0) +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/blob/blob.params b/test/blob/blob.params new file mode 100644 index 000000000..85149847f --- /dev/null +++ b/test/blob/blob.params @@ -0,0 +1,30 @@ +% Blob test - wind-cloud interaction (Hopkins 2015) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% BOX_LONG_X=1 +% BOX_LONG_Y=1 +% BOX_LONG_Z=3 +% SELFGRAVITY_OFF +% EOS_GAMMA=(5.0/3.0) +% +InitCondFile blob_ics +OutputDir output +TimeMax 2 +BoxSize 2000 +TimeBetSnapshot 0.5 +DesNumNgb 32 +UnitLength_in_cm 3.085678e+21 +UnitMass_in_g 1.989e+43 +UnitVelocity_in_cm_per_s 100000 +MaxSizeTimestep 0.02 +ErrTolIntAccuracy 0.01 +CourantFac 0.2 +MaxRMSDisplacementFac 0.1 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 +MaxMemSize 60000 +ErrTolTheta 0.7 +MaxNumNgbDeviation 0.1 +ResubmitOn 0 +ResubmitCommand none diff --git a/test/blob/test_blob.py b/test/blob/test_blob.py new file mode 100644 index 000000000..4892251f6 --- /dev/null +++ b/test/blob/test_blob.py @@ -0,0 +1,78 @@ +"""Blob test - wind-cloud interaction (Hopkins 2015) + +Tests the survival of a dense cloud in a wind. Checks that the cloud +retains a significant fraction of its mass after a few cloud-crushing times. +""" + +import pytest +import numpy as np +import h5py +import glob +from gizmo.test import build_and_run_test, default_mpi_ranks, clean_test_outputs, flush_colorbar, assert_final_time, default_omp_threads +from meshoid import Meshoid +from matplotlib import pyplot as plt + + +def plot_blob_density(coordinates, density, log=True, output_dir="."): + """Plots a slice of the blob density""" + X, Y, logrho_slice = Meshoid(coordinates).Slice( + np.log10(density), + res=2048, + order=1, + return_grid=True, + center=np.average(coordinates, axis=0), + size=6000.0, + plane="x", + ) + fig, ax = plt.subplots(figsize=(6, 6)) + ax.pcolormesh(Y, X, (logrho_slice if log else 10**logrho_slice)) + ax.set_ylim(-1000, 1000) + ax.set_xlim(-1400, 600) + ax.set_aspect("equal") + ax.set_xlabel("x") + ax.set_ylabel("y") + flush_colorbar(ax.collections[0], ax=ax, label=("log10(Density)" if log else "Density")) + fig.savefig(output_dir + "/Density.png", bbox_inches="tight") + plt.close(fig) + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_blob(num_mpi_ranks, num_omp_threads): + test_name = "blob" + clean_test_outputs(test_name) + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + snaps = sorted(glob.glob(outputdir + "/snapshot_*.hdf5")) + if len(snaps) < 2: + raise RuntimeError("GIZMO did not run successfully.") + assert_final_time(snaps[-1], test_name) + + # Load initial and final snapshots + with h5py.File(snaps[0], "r") as F: + rho0 = F["PartType0/Density"][:] + mass0 = F["PartType0/Masses"][:] + with h5py.File(snaps[-1], "r") as F: + rho_f = F["PartType0/Density"][:] + mass_f = F["PartType0/Masses"][:] + pos_f = F["PartType0/Coordinates"][:] + + # The blob is the overdense region (density > 5x mean) + rho_mean0 = np.mean(rho0) + blob_mass_initial = mass0[rho0 > 5 * rho_mean0].sum() + total_mass_initial = mass0.sum() + total_mass_final = mass_f.sum() + + plot_blob_density(pos_f, rho_f, output_dir="test/blob") + + # Mass conservation + mass_err = abs(total_mass_final - total_mass_initial) / total_mass_initial + assert mass_err < 1e-3, f"Total mass not conserved: relative error {mass_err:.6f}" + + # Blob should still have significant mass (not fully disrupted at t=2) + rho_mean_f = np.mean(rho_f) + blob_mass_final = mass_f[rho_f > 5 * rho_mean_f].sum() + assert ( + blob_mass_final > 0.1 * blob_mass_initial + ), f"Blob lost too much mass: {blob_mass_final/blob_mass_initial:.2%} remaining" diff --git a/test/briowu/Config.sh b/test/briowu/Config.sh new file mode 100644 index 000000000..2aa166375 --- /dev/null +++ b/test/briowu/Config.sh @@ -0,0 +1,11 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +BOX_LONG_X=16 +BOX_LONG_Y=1 +BOX_LONG_Z=1 +BOX_SPATIAL_DIMENSION=2 +EOS_GAMMA=(2.0) +MAGNETIC +SELFGRAVITY_OFF +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/briowu/briowu.params b/test/briowu/briowu.params new file mode 100644 index 000000000..df77e3185 --- /dev/null +++ b/test/briowu/briowu.params @@ -0,0 +1,31 @@ +% Brio & Wu MHD shock tube test (Hopkins & Raives 2016) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% BOX_LONG_X=16 +% BOX_LONG_Y=1 +% BOX_LONG_Z=1 +% BOX_SPATIAL_DIMENSION=2 +% EOS_GAMMA=(2.0) +% MAGNETIC +% SELFGRAVITY_OFF +% +InitCondFile briowu_ics +OutputDir output +TimeMax 0.2 +BoxSize 0.25 +TimeBetSnapshot 0.1 +MaxSizeTimestep 0.04 +DesNumNgb 20 +MaxNumNgbDeviation 0.1 +MaxMemSize 2000 +ErrTolIntAccuracy 0.01 +CourantFac 0.2 +MaxRMSDisplacementFac 0.1 +DivBcleaningParabolicSigma 1.0 +DivBcleaningHyperbolicSigma 1.0 +ResubmitOn 0 +ResubmitCommand none +ErrTolTheta 0.7 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 diff --git a/test/briowu/test_briowu.py b/test/briowu/test_briowu.py new file mode 100644 index 000000000..6f51dd65f --- /dev/null +++ b/test/briowu/test_briowu.py @@ -0,0 +1,52 @@ +"""Brio & Wu MHD shock tube test (Hopkins & Raives 2016) + +Classic MHD shock tube problem testing the MHD Riemann solver. Since there is no +provided exact solution file, this test verifies that the simulation runs to +completion and produces output with physically reasonable values. +""" + +import pytest +import numpy as np +from matplotlib import pyplot as plt +import h5py + +from gizmo.test import build_and_run_test, assert_final_time, default_mpi_ranks, default_omp_threads, get_final_snapshot + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_briowu(num_mpi_ranks, num_omp_threads): + test_name = "briowu" + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + final_snap = get_final_snapshot(test_name) + assert_final_time(final_snap, test_name) + + # Load simulation data + with h5py.File(final_snap, "r") as F: + x_sim = F["PartType0/Coordinates"][:, 0] + rho_sim = F["PartType0/Density"][:] + vel_sim = F["PartType0/Velocities"][:, 0] + B_sim = F["PartType0/MagneticField"][:] + + # Plot profiles + order = x_sim.argsort() + for label, data in [ + ("Density", rho_sim), + ("Velocity", vel_sim), + ("By", B_sim[:, 1]), + ]: + plt.figure() + plt.plot(x_sim[order], data[order], ".", markersize=1) + plt.xlabel("x") + plt.ylabel(label) + plt.savefig(f"test/{test_name}/{label}.png") + plt.close() + + # Basic sanity checks + assert np.all(np.isfinite(rho_sim)), "Non-finite density values found" + assert np.all(rho_sim > 0), "Negative density values found" + assert np.all(np.isfinite(B_sim)), "Non-finite magnetic field values found" + # Check density is in expected range for this problem + assert rho_sim.max() < 2.0, f"Maximum density {rho_sim.max()} unreasonably high" + assert rho_sim.min() > 0.05, f"Minimum density {rho_sim.min()} unreasonably low" diff --git a/test/build_gizmo_for_test.sh b/test/build_gizmo_for_test.sh index 28c360b16..a91f8535a 100644 --- a/test/build_gizmo_for_test.sh +++ b/test/build_gizmo_for_test.sh @@ -3,4 +3,4 @@ rm GIZMO rm test/*/GIZMO cp test/$TEST_NAME/Config.sh . # retrieve the config file -make +make clean && make -j8 diff --git a/test/core/Config.sh b/test/core/Config.sh new file mode 100644 index 000000000..b17b0adf5 --- /dev/null +++ b/test/core/Config.sh @@ -0,0 +1,10 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +EOS_GAMMA=(5.0/3.0) +EOS_MHD_CORE_BAROTROPIC +GRAVITY_NOT_PERIODIC +MAGNETIC +MHD_B_SET_IN_PARAMS +ADAPTIVE_GRAVSOFT_FORGAS +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/core/core.params b/test/core/core.params new file mode 100644 index 000000000..7a69fd81a --- /dev/null +++ b/test/core/core.params @@ -0,0 +1,51 @@ +% Magnetized core collapse test (Hopkins 2015) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% EOS_GAMMA=(5.0/3.0) +% EOS_ENFORCE_ADIABAT=(1.0) +% EOS_ENFORCE_ADIABAT_CORE_BAROTROPIC +% GRAVITY_NOT_PERIODIC +% MAGNETIC +% MHD_B_SET_IN_PARAMS +% ADAPTIVE_GRAVSOFT_FORGAS +% +InitCondFile core_ics +OutputDir output +TimeMax 0.25 +BoxSize 0.15 +TimeBetSnapshot 0.05 +DesNumNgb 32 +BiniX 0 +BiniY 0 +BiniZ 6.1019e-05 +UnitLength_in_cm 3.085678e+18 +UnitMass_in_g 1.9891e+33 +UnitVelocity_in_cm_per_s 100000 +UnitMagneticField_in_gauss 1 +SofteningGas 5e-6 +Softening_Type1 5e-6 +Softening_Type2 5e-6 +Softening_Type3 5e-6 +Softening_Type4 5e-6 +Softening_Type5 5e-6 +SofteningGasMaxPhys 5e-6 +Softening_Type1_MaxPhysLimit 5e-6 +Softening_Type2_MaxPhysLimit 5e-6 +Softening_Type3_MaxPhysLimit 5e-6 +Softening_Type4_MaxPhysLimit 5e-6 +Softening_Type5_MaxPhysLimit 5e-6 +MaxSizeTimestep 5e-05 +MaxHsml 100 +ErrTolIntAccuracy 0.01 +CourantFac 0.2 +MaxRMSDisplacementFac 0.1 +ErrTolForceAcc 0.001 +ErrTolTheta 0.7 +TimeBetStatistics 0.5 +MaxMemSize 3000 +MaxNumNgbDeviation 0.1 +ResubmitOn 0 +ResubmitCommand none +DivBcleaningParabolicSigma 0.1 +DivBcleaningHyperbolicSigma 1.0 diff --git a/test/core/test_core.py b/test/core/test_core.py new file mode 100644 index 000000000..c2d5e0c84 --- /dev/null +++ b/test/core/test_core.py @@ -0,0 +1,54 @@ +"""Magnetized core collapse test (Hopkins 2015) + +Tests the collapse of a magnetized molecular cloud core with a barotropic +EOS. The core should contract and form a dense central region. Checks that +the central density increases significantly and that the magnetic field +is amplified by compression. +""" + +import pytest +import numpy as np +from matplotlib import pyplot as plt +import h5py +import glob +from gizmo.test import build_and_run_test, default_mpi_ranks, clean_test_outputs, assert_final_time, default_omp_threads + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_core(num_mpi_ranks, num_omp_threads): + test_name = "core" + clean_test_outputs(test_name) + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + snaps = sorted(glob.glob(outputdir + "/snapshot_*.hdf5")) + if len(snaps) < 2: + raise RuntimeError("GIZMO did not run successfully.") + assert_final_time(snaps[-1], test_name) + + # Load initial and final snapshots + with h5py.File(snaps[0], "r") as F: + rho0 = F["PartType0/Density"][:] + B0 = F["PartType0/MagneticField"][:] + mass0 = F["PartType0/Masses"][:] + with h5py.File(snaps[-1], "r") as F: + rho_f = F["PartType0/Density"][:] + Bf = F["PartType0/MagneticField"][:] + mass_f = F["PartType0/Masses"][:] + pos_f = F["PartType0/Coordinates"][:] + + # The core should have collapsed: max density should increase significantly + rho_max_ratio = rho_f.max() / rho0.max() + assert rho_max_ratio > 10, ( + f"Core did not collapse enough: max density ratio = {rho_max_ratio:.1f}" + ) + + # Magnetic field should be amplified by compression + Bmag0_max = np.max(np.sqrt(np.sum(B0**2, axis=1))) + Bmagf_max = np.max(np.sqrt(np.sum(Bf**2, axis=1))) + assert Bmagf_max > Bmag0_max, "Magnetic field should be amplified during collapse" + + # Mass conservation + mass_err = abs(mass_f.sum() - mass0.sum()) / mass0.sum() + assert mass_err < 1e-3, f"Mass not conserved: relative error {mass_err:.6f}" diff --git a/test/currentsheet/Config.sh b/test/currentsheet/Config.sh new file mode 100644 index 000000000..961a22b6c --- /dev/null +++ b/test/currentsheet/Config.sh @@ -0,0 +1,7 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +BOX_SPATIAL_DIMENSION=2 +MAGNETIC +SELFGRAVITY_OFF +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/currentsheet/currentsheet.params b/test/currentsheet/currentsheet.params new file mode 100644 index 000000000..53b08d523 --- /dev/null +++ b/test/currentsheet/currentsheet.params @@ -0,0 +1,27 @@ +% Current sheet reconnection test (Hopkins & Raives 2016) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% BOX_SPATIAL_DIMENSION=2 +% MAGNETIC +% SELFGRAVITY_OFF +% +InitCondFile currentsheet_A0pt1_b0pt1_ics +OutputDir output +TimeMax 0.1 +BoxSize 1 +TimeBetSnapshot 0.01 +MaxSizeTimestep 1e-05 +DesNumNgb 16 +CourantFac 0.1 +ErrTolIntAccuracy 0.01 +MaxRMSDisplacementFac 0.1 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 +MaxMemSize 1000 +ErrTolTheta 0.7 +MaxNumNgbDeviation 0.1 +ResubmitOn 0 +ResubmitCommand none +DivBcleaningParabolicSigma 0.1 +DivBcleaningHyperbolicSigma 1.0 diff --git a/test/currentsheet/test_currentsheet.py b/test/currentsheet/test_currentsheet.py new file mode 100644 index 000000000..7a41c8fae --- /dev/null +++ b/test/currentsheet/test_currentsheet.py @@ -0,0 +1,53 @@ +"""Current sheet reconnection test (Hopkins & Raives 2016) + +Tests magnetic reconnection in a current sheet. Checks that the magnetic +energy dissipates (reconnection occurs) and that the code runs stably. +""" + +import pytest +import numpy as np +import h5py +import glob +from os import path, chdir +from urllib.request import urlretrieve +from gizmo.test import build_gizmo_for_test, download_test_files, run_test, default_mpi_ranks, clean_test_outputs, assert_final_time, default_omp_threads + + +WEBSITE = "http://www.tapir.caltech.edu/~phopkins/sims/" + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(max_ranks=8),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_currentsheet(num_mpi_ranks, num_omp_threads): + test_name = "currentsheet" + clean_test_outputs(test_name) + build_gizmo_for_test(test_name, num_omp_threads) + chdir(f"test/{test_name}/") + + # Download ICs (non-standard name) + ic_file = "currentsheet_A0pt1_b0pt1_ics.hdf5" + if not path.isfile(ic_file): + urlretrieve(WEBSITE + ic_file, ic_file) + + run_test(test_name, num_mpi_ranks, num_omp_threads) + chdir("../../") + + outputdir = f"test/{test_name}/output" + snaps = sorted(glob.glob(outputdir + "/snapshot_*.hdf5")) + if len(snaps) < 2: + raise RuntimeError("GIZMO did not run successfully.") + assert_final_time(snaps[-1], test_name) + + # Load initial and final snapshots + with h5py.File(snaps[0], "r") as F: + B0 = F["PartType0/MagneticField"][:] + with h5py.File(snaps[-1], "r") as F: + Bf = F["PartType0/MagneticField"][:] + + # Magnetic energy should decrease due to reconnection + Emag0 = np.mean(np.sum(B0**2, axis=1)) + Emagf = np.mean(np.sum(Bf**2, axis=1)) + + assert Emagf < Emag0, "Magnetic energy should decrease due to reconnection" + # But shouldn't go to zero - reconnection is a gradual process + assert Emagf > 0.01 * Emag0, "Magnetic energy dropped too much" diff --git a/test/dustywave/Config.sh b/test/dustywave/Config.sh new file mode 100644 index 000000000..41326d5e5 --- /dev/null +++ b/test/dustywave/Config.sh @@ -0,0 +1,10 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +BOX_SPATIAL_DIMENSION=1 +EOS_GAMMA=(5./3.) +EOS_ENFORCE_ADIABAT=(3./5.) +SELFGRAVITY_OFF +GRAIN_FLUID +GRAIN_BACKREACTION +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/dustywave/dustywave.params b/test/dustywave/dustywave.params new file mode 100644 index 000000000..4331dadf0 --- /dev/null +++ b/test/dustywave/dustywave.params @@ -0,0 +1,32 @@ +% Dusty wave test (Hopkins & Lee 2016) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% BOX_SPATIAL_DIMENSION=1 +% EOS_GAMMA=(5./3.) +% EOS_ENFORCE_ADIABAT=(3./5.) +% SELFGRAVITY_OFF +% GRAIN_FLUID +% GRAIN_BACKREACTION +% +InitCondFile dustywave_ics +OutputDir output +TimeMax 2.5 +BoxSize 1 +TimeBetSnapshot 0.1 +DesNumNgb 4 +MaxNumNgbDeviation 1e-6 +MaxMemSize 1000 +Grain_Internal_Density 1 +Grain_Size_Min 1.23608 +Grain_Size_Max 1.23608 +Grain_Size_Spectrum_Powerlaw 0.5 +MaxSizeTimestep 0.01 +ErrTolIntAccuracy 0.01 +CourantFac 0.2 +MaxRMSDisplacementFac 0.1 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 +ResubmitOn 0 +ResubmitCommand none +ErrTolTheta 0.7 diff --git a/test/dustywave/test_dustywave.py b/test/dustywave/test_dustywave.py new file mode 100644 index 000000000..ece69e93a --- /dev/null +++ b/test/dustywave/test_dustywave.py @@ -0,0 +1,82 @@ +"""Dusty wave test (Hopkins & Lee 2016) + +Tests the coupled dust-gas wave propagation. Compares dust and gas velocities +against the reference solution at t=1.2. +The exact solution file has columns: x-position, x-velocity of dust, x-velocity of gas +(velocities in units of 1e-4). +""" + +import pytest +import numpy as np +from scipy.interpolate import interp1d +from matplotlib import pyplot as plt +import h5py +from os import path, chdir +from urllib.request import urlretrieve +from gizmo.test import build_gizmo_for_test, download_test_files, run_test, clean_test_outputs, assert_final_time, get_final_snapshot, default_mpi_ranks, default_omp_threads + + +WEBSITE = "http://www.tapir.caltech.edu/~phopkins/sims/" + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(max_ranks=2),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_dustywave(num_mpi_ranks, num_omp_threads): + test_name = "dustywave" + clean_test_outputs(test_name) + build_gizmo_for_test(test_name, num_omp_threads) + chdir(f"test/{test_name}/") + + # Download ICs (standard name) and exact solution (non-standard name) + download_test_files(test_name) + if not path.isfile("dustwave_exact.txt"): + urlretrieve(WEBSITE + "dustwave_exact.txt", "dustwave_exact.txt") + + run_test(test_name, num_mpi_ranks, num_omp_threads) + chdir("../../") + + outputdir = f"test/{test_name}/output" + # t=1.2 corresponds to snapshot 12 (TimeBetSnapshot=0.1) + snap_file = outputdir + "/snapshot_012.hdf5" + if not path.isfile(snap_file): + raise RuntimeError("GIZMO did not run successfully.") + assert_final_time(get_final_snapshot(test_name), test_name) + + # Load simulation data - gas is PartType0, dust is PartType3 + with h5py.File(snap_file, "r") as F: + x_gas = F["PartType0/Coordinates"][:, 0] + vx_gas = F["PartType0/Velocities"][:, 0] + x_dust = F["PartType3/Coordinates"][:, 0] + vx_dust = F["PartType3/Velocities"][:, 0] + + # Load exact solution: x, v_dust, v_gas (velocities in units of 1e-4) + exact = np.loadtxt(f"test/{test_name}/dustwave_exact.txt") + x_exact = exact[:, 0] + vdust_exact = exact[:, 1] * 1e-4 # convert to code units + vgas_exact = exact[:, 2] * 1e-4 + + # Interpolate exact solution to particle positions + vgas_interp = interp1d(x_exact, vgas_exact, bounds_error=False, fill_value="extrapolate")(x_gas) + vdust_interp = interp1d(x_exact, vdust_exact, bounds_error=False, fill_value="extrapolate")(x_dust) + + # Plot + plt.figure() + gas_order = x_gas.argsort() + dust_order = x_dust.argsort() + plt.plot(x_gas[gas_order], vx_gas[gas_order], "b.", markersize=3, label="Gas (GIZMO)") + plt.plot(x_dust[dust_order], vx_dust[dust_order], "r.", markersize=3, label="Dust (GIZMO)") + plt.plot(x_exact, vgas_exact, "b-", linewidth=0.5, label="Gas (exact)") + plt.plot(x_exact, vdust_exact, "r-", linewidth=0.5, label="Dust (exact)") + plt.xlabel("x") + plt.ylabel("v_x") + plt.legend() + plt.savefig(f"test/{test_name}/velocities.png") + plt.close() + + # Compute L1 errors + amp = np.max(np.abs(vgas_exact)) + L1_gas = np.mean(np.abs(vx_gas - vgas_interp)) / amp + L1_dust = np.mean(np.abs(vx_dust - vdust_interp)) / amp + + assert L1_gas < 0.15, f"Gas velocity L1 error {L1_gas:.4f} exceeds tolerance" + assert L1_dust < 0.15, f"Dust velocity L1 error {L1_dust:.4f} exceeds tolerance" diff --git a/test/evrard/Config.sh b/test/evrard/Config.sh new file mode 100644 index 000000000..1968a3ff9 --- /dev/null +++ b/test/evrard/Config.sh @@ -0,0 +1,5 @@ +HYDRO_MESHLESS_FINITE_MASS +EOS_GAMMA=(5.0/3.0) +ADAPTIVE_GRAVSOFT_FORGAS +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/evrard/evrard.params b/test/evrard/evrard.params new file mode 100644 index 000000000..b35970975 --- /dev/null +++ b/test/evrard/evrard.params @@ -0,0 +1,31 @@ +% Evrard adiabatic collapse test (Hopkins 2015) +% +% HYDRO_MESHLESS_FINITE_MASS +% EOS_GAMMA=(5.0/3.0) +% ADAPTIVE_GRAVSOFT_FORGAS +% +InitCondFile evrard_ics +OutputDir output +PartAllocFactor 5 +TimeMax 0.8 +TimeBetSnapshot 0.1 +MaxSizeTimestep 0.001 +DesNumNgb 40 +MaxNumNgbDeviation 0.1 +MaxMemSize 3000 +GravityConstantInternal 1 +MaxHsml 2000 +SofteningGas 0.0001 +SofteningHalo 0.07 +Softening_Type2 0.003 +Softening_Type3 0.003 +Softening_Type4 0.003 +Softening_Type5 0.003 +CourantFac 0.1 +ResubmitOn 0 +ResubmitCommand none +ErrTolTheta 0.7 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 +ErrTolIntAccuracy 0.01 +MaxRMSDisplacementFac 0.1 diff --git a/test/evrard/test_evrard.py b/test/evrard/test_evrard.py new file mode 100644 index 000000000..226f25af0 --- /dev/null +++ b/test/evrard/test_evrard.py @@ -0,0 +1,100 @@ +"""Evrard adiabatic collapse test (Hopkins 2015) + +Compares the radial density, entropy, and velocity profiles at t=0.8 against +a high-resolution reference solution. +The exact solution file has columns: radius, density, entropy, velocity. +""" + +import pytest +import numpy as np +from scipy.interpolate import interp1d +from scipy.stats import binned_statistic +from matplotlib import pyplot as plt +import h5py + +from meshoid import Meshoid +from gizmo.test import build_and_run_test, default_mpi_ranks, flush_colorbar, assert_final_time, get_final_snapshot + + +def plot_evrard_density_slice(coords, rho, output_dir="."): + """Plot a density slice through the Evrard collapse center.""" + M = Meshoid(coords) + center = np.average(coords, axis=0) + rho_slice = M.Slice(np.log10(rho), res=1024, plane="z", center=center, size=1., order=1) + fig, ax = plt.subplots(figsize=(6, 6)) + im = ax.imshow(rho_slice.T, origin="lower", cmap="inferno", extent=[-0.5, 0.5, -0.5, 0.5]) + flush_colorbar(im, ax=ax, label="log10(Density)") + ax.set_xlabel("x") + ax.set_ylabel("y") + ax.set_title("Evrard Collapse - Density Slice") + fig.savefig(output_dir + "/Density_2D.png", dpi=150, bbox_inches="tight") + plt.close(fig) + + +@pytest.mark.parametrize("num_mpi_ranks,num_omp_threads", [(16, 0), (1, 16), (4, 4)]) +def test_evrard(num_mpi_ranks, num_omp_threads): + test_name = "evrard" + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + final_snap = get_final_snapshot(test_name) + assert_final_time(final_snap, test_name) + + # Load simulation data + with h5py.File(final_snap, "r") as F: + coords = F["PartType0/Coordinates"][:] + rho_sim = F["PartType0/Density"][:] + vel = F["PartType0/Velocities"][:] + u_sim = F["PartType0/InternalEnergy"][:] + + # Compute radius from origin and radial velocity + r_sim = np.sqrt(np.sum(coords**2, axis=1)) + vr_sim = np.sum(vel * coords, axis=1) / (r_sim + 1e-30) + + # Entropy: S = P / rho^gamma = (gamma-1) * u / rho^(gamma-1) + gamma = 5.0 / 3.0 + entropy_sim = (gamma - 1) * u_sim / rho_sim ** (gamma - 1) + + # Load exact solution: radius, density, entropy, velocity + exact = np.loadtxt(f"test/{test_name}/evrard_exact.txt") + r_exact = exact[:, 0] + rho_exact = exact[:, 1] + entropy_exact = exact[:, 2] + vr_exact = exact[:, 3] + + # Bin simulation data by radius + r_bins = np.logspace(np.log10(r_exact.min()), np.log10(r_exact.max()), 30) + rho_binned = binned_statistic(r_sim, rho_sim, "median", r_bins)[0] + vr_binned = binned_statistic(r_sim, vr_sim, "median", r_bins)[0] + entropy_binned = binned_statistic(r_sim, entropy_sim, "median", r_bins)[0] + r_centers = 0.5 * (r_bins[:-1] + r_bins[1:]) + + # Interpolate exact solution to bin centers + rho_exact_interp = interp1d(r_exact, rho_exact, bounds_error=False, fill_value="extrapolate")(r_centers) + vr_exact_interp = interp1d(r_exact, vr_exact, bounds_error=False, fill_value="extrapolate")(r_centers) + + plot_evrard_density_slice(coords, rho_sim, output_dir=f"test/{test_name}") + + # Plot comparison + for label, binned, exact_vals, log in [ + ("Density", rho_binned, rho_exact_interp, True), + ("RadialVelocity", vr_binned, vr_exact_interp, False), + ]: + plt.figure() + if log: + plt.loglog(r_centers, binned, "o", markersize=3, label="GIZMO") + plt.loglog(r_centers, exact_vals, "-", color="red", label="Exact") + else: + plt.semilogx(r_centers, binned, "o", markersize=3, label="GIZMO") + plt.semilogx(r_centers, exact_vals, "-", color="red", label="Exact") + plt.xlabel("r") + plt.ylabel(label) + plt.legend() + plt.savefig(f"test/{test_name}/{label}.png") + plt.close() + + # Check density profile + good = np.isfinite(rho_binned) & np.isfinite(rho_exact_interp) & (rho_exact_interp > 0) + if np.any(good): + L1_rho = np.nanmean(np.abs(np.log10(rho_binned[good]) - np.log10(rho_exact_interp[good]))) + assert L1_rho < 0.3, f"Log density profile L1 error {L1_rho:.4f} exceeds tolerance" diff --git a/test/field_loop/Config.sh b/test/field_loop/Config.sh new file mode 100644 index 000000000..961a22b6c --- /dev/null +++ b/test/field_loop/Config.sh @@ -0,0 +1,7 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +BOX_SPATIAL_DIMENSION=2 +MAGNETIC +SELFGRAVITY_OFF +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/field_loop/field_loop.params b/test/field_loop/field_loop.params new file mode 100644 index 000000000..cc7adb9ad --- /dev/null +++ b/test/field_loop/field_loop.params @@ -0,0 +1,28 @@ +% Field loop advection test (Hopkins & Raives 2016) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% BOX_SPATIAL_DIMENSION=2 +% MAGNETIC +% SELFGRAVITY_OFF +% +InitCondFile field_loop_ics +OutputDir output +TimeMax 2 +BoxSize 1 +TimeOfFirstSnapshot 0.01 +TimeBetSnapshot 1 +MaxSizeTimestep 0.1 +DesNumNgb 20 +ErrTolIntAccuracy 0.01 +CourantFac 0.2 +MaxRMSDisplacementFac 0.1 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 +MaxMemSize 1000 +ErrTolTheta 0.7 +MaxNumNgbDeviation 0.1 +ResubmitOn 0 +ResubmitCommand none +DivBcleaningParabolicSigma 0.1 +DivBcleaningHyperbolicSigma 1.0 diff --git a/test/field_loop/test_field_loop.py b/test/field_loop/test_field_loop.py new file mode 100644 index 000000000..5ddec9c0d --- /dev/null +++ b/test/field_loop/test_field_loop.py @@ -0,0 +1,41 @@ +"""Field loop advection test (Hopkins & Raives 2016) + +Tests advection of a magnetic field loop. The loop should be preserved +after one full advection period. Checks magnetic flux conservation. +""" + +import pytest +import numpy as np +import h5py +import glob +from gizmo.test import build_and_run_test, default_mpi_ranks, clean_test_outputs, assert_final_time, default_omp_threads + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_field_loop(num_mpi_ranks, num_omp_threads): + test_name = "field_loop" + clean_test_outputs(test_name) + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + snaps = sorted(glob.glob(outputdir + "/snapshot_*.hdf5")) + if len(snaps) < 2: + raise RuntimeError("GIZMO did not run successfully.") + assert_final_time(snaps[-1], test_name) + + # Load initial and final snapshots + with h5py.File(snaps[0], "r") as F: + B0 = F["PartType0/MagneticField"][:] + pos0 = F["PartType0/Coordinates"][:] + mass0 = F["PartType0/Masses"][:] + with h5py.File(snaps[-1], "r") as F: + Bf = F["PartType0/MagneticField"][:] + mass_f = F["PartType0/Masses"][:] + + # Total magnetic energy should be approximately conserved + Emag0 = np.sum(np.sum(B0**2, axis=1) * mass0) + Emagf = np.sum(np.sum(Bf**2, axis=1) * mass_f) + + rel_err = abs(Emagf - Emag0) / Emag0 + assert rel_err < 0.5, f"Magnetic energy not conserved: relative error {rel_err:.4f}" diff --git a/test/gmc_cooling/test_gmc_cooling.py b/test/gmc_cooling/test_gmc_cooling.py index 1cae9d92a..c37b155dc 100644 --- a/test/gmc_cooling/test_gmc_cooling.py +++ b/test/gmc_cooling/test_gmc_cooling.py @@ -1,7 +1,7 @@ """GMC cooling and chemistry test""" -from gizmo.test import build_and_run_test, get_cooling_tables -from os import path +from gizmo.test import build_and_run_test, get_cooling_tables, assert_final_time, default_omp_threads, default_mpi_ranks, get_final_snapshot + from matplotlib import pyplot as plt import h5py from astropy import units as u, constants as c @@ -48,8 +48,9 @@ def compute_test_statistic(f, save_reference_solution=False, plot=False): return binned_statistic(nH, T, "median", nH_bins)[0] -@pytest.mark.parametrize("num_mpi_ranks", (1, 16)) -def test_gmc_cooling(num_mpi_ranks): +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_gmc_cooling(num_mpi_ranks, num_omp_threads): # specify the test name test_name = "gmc_cooling" test_directory = "test/gmc_cooling" @@ -58,11 +59,11 @@ def test_gmc_cooling(num_mpi_ranks): get_cooling_tables(test_directory) # build GIZMO and run the test - build_and_run_test(test_name, num_mpi_ranks) + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) - # Check that the specific required output file exists: - if not path.isfile("test/gmc_cooling/output/snapshot_010.hdf5"): - raise (RuntimeError("GIZMO did not run successfully.")) + # Check that the simulation produced output and the final time is correct + final_snap = get_final_snapshot(test_name) + assert_final_time(final_snap, test_name) # Compute a test statistic from the output test_stats = compute_test_statistic("test/gmc_cooling/output/snapshot_010.hdf5", plot=True) @@ -71,4 +72,4 @@ def test_gmc_cooling(num_mpi_ranks): benchmark_stats = compute_test_statistic("test/gmc_cooling/gmc_cooling_exact.hdf5") # check that the test and benchmark agree within 10% - assert np.all(np.isclose(test_stats, benchmark_stats, rtol=0.1)) + assert test_stats == pytest.approx(benchmark_stats, rel=0.1) diff --git a/test/gmc_cooling_rt/test_gmc_cooling_rt.py b/test/gmc_cooling_rt/test_gmc_cooling_rt.py index 419571bea..b714eca8f 100644 --- a/test/gmc_cooling_rt/test_gmc_cooling_rt.py +++ b/test/gmc_cooling_rt/test_gmc_cooling_rt.py @@ -1,8 +1,8 @@ """GMC cooling and chemistry test""" import pytest -from gizmo.test import build_and_run_test, get_cooling_tables -from os import path +from gizmo.test import build_and_run_test, get_cooling_tables, assert_final_time, default_omp_threads, default_mpi_ranks, get_final_snapshot + from matplotlib import pyplot as plt import h5py from astropy import units as u, constants as c @@ -110,15 +110,16 @@ def compute_test_statistic(f, save_reference_solution=False, plot=False): return np.array([binned_statistic(nH, s, "median", nH_bins)[0] for s in stats_to_check]) -@pytest.mark.parametrize("num_mpi_ranks", (1, 16)) -def test_gmc_cooling_rt(num_mpi_ranks): +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_gmc_cooling_rt(num_mpi_ranks, num_omp_threads): test_name = "gmc_cooling_rt" test_dir = "test/gmc_cooling_rt" get_cooling_tables(test_dir) - build_and_run_test(test_name, num_mpi_ranks) - if not path.isfile("test/gmc_cooling_rt/output/snapshot_010.hdf5"): - raise (RuntimeError("GIZMO did not run successfully.")) + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + final_snap = get_final_snapshot(test_name) + assert_final_time(final_snap, test_name) test_stats = compute_test_statistic(test_dir + "/output/snapshot_010.hdf5", plot=True) benchmark_stats = compute_test_statistic(test_dir + "/gmc_cooling_rt_exact.hdf5") - assert np.all(np.isclose(test_stats, benchmark_stats, rtol=0.1)) + assert test_stats == pytest.approx(benchmark_stats, rel=0.1) diff --git a/test/gresho/Config.sh b/test/gresho/Config.sh new file mode 100644 index 000000000..ba6d02631 --- /dev/null +++ b/test/gresho/Config.sh @@ -0,0 +1,7 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +BOX_SPATIAL_DIMENSION=2 +SELFGRAVITY_OFF +EOS_GAMMA=(1.4) +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/gresho/gresho.params b/test/gresho/gresho.params new file mode 100644 index 000000000..34900a111 --- /dev/null +++ b/test/gresho/gresho.params @@ -0,0 +1,28 @@ +% Gresho vortex test (Hopkins 2015) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% BOX_SPATIAL_DIMENSION=2 +% SELFGRAVITY_OFF +% EOS_GAMMA=(1.4) +% +InitCondFile gresho_ics +OutputDir output +TimeMax 3 +BoxSize 1 +TimeBetSnapshot 0.5 +DesNumNgb 20 +MaxNumNgbDeviation 0.1 +MaxMemSize 1000 +ErrTolIntAccuracy 0.001 +CourantFac 0.1 +MaxRMSDisplacementFac 0.125 +MaxSizeTimestep 1.0 +ArtCondConstant 0.25 +ViscosityAMin 0.025 +ViscosityAMax 2 +ResubmitOn 0 +ResubmitCommand none +ErrTolTheta 0.7 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 diff --git a/test/gresho/test_gresho.py b/test/gresho/test_gresho.py new file mode 100644 index 000000000..922cd9d6e --- /dev/null +++ b/test/gresho/test_gresho.py @@ -0,0 +1,67 @@ +"""Gresho vortex test (Hopkins 2015) + +The Gresho vortex has a known analytic azimuthal velocity profile: + v_phi(r) = 5r for r < 0.2 + v_phi(r) = 2 - 5r for 0.2 <= r < 0.4 + v_phi(r) = 0 for r >= 0.4 + +Tests that the vortex is preserved over time. +""" + +import pytest +import numpy as np +from matplotlib import pyplot as plt +import h5py + +from gizmo.test import build_and_run_test, assert_final_time, default_omp_threads, default_mpi_ranks, get_final_snapshot + + +def gresho_vphi_analytic(r): + """Analytic azimuthal velocity profile for the Gresho vortex.""" + vphi = np.zeros_like(r) + vphi[r < 0.2] = 5 * r[r < 0.2] + mask = (r >= 0.2) & (r < 0.4) + vphi[mask] = 2 - 5 * r[mask] + return vphi + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_gresho(num_mpi_ranks, num_omp_threads): + test_name = "gresho" + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + final_snap = get_final_snapshot(test_name) + assert_final_time(final_snap, test_name) + + # Load simulation data + with h5py.File(final_snap, "r") as F: + coords = F["PartType0/Coordinates"][:] + vel = F["PartType0/Velocities"][:] + + # Compute radius from center and azimuthal velocity + x = coords[:, 0] - 0.5 + y = coords[:, 1] - 0.5 + r = np.sqrt(x**2 + y**2) + # v_phi = (-sin(theta) * vx + cos(theta) * vy) = (-y*vx + x*vy)/r + vphi_sim = (-y * vel[:, 0] + x * vel[:, 1]) / (r + 1e-30) + + # Analytic solution + vphi_analytic = gresho_vphi_analytic(r) + + # Plot comparison + order = r.argsort() + plt.figure() + plt.plot(r[order], vphi_sim[order], ".", markersize=0.5, alpha=0.3, label="GIZMO") + r_plot = np.linspace(0, 0.5, 200) + plt.plot(r_plot, gresho_vphi_analytic(r_plot), "-", color="red", linewidth=2, label="Analytic") + plt.xlabel("r") + plt.ylabel(r"$v_\phi$") + plt.legend() + plt.savefig(f"test/{test_name}/vphi.png") + plt.close() + + # Compute L1 error on v_phi for r < 0.4 (where vortex is active) + inside = r < 0.4 + L1 = np.mean(np.abs(vphi_sim[inside] - vphi_analytic[inside])) / np.mean(np.abs(vphi_analytic[inside])) + assert L1 < 0.15, f"Gresho v_phi L1 error {L1:.4f} exceeds tolerance" diff --git a/test/interactblast/Config.sh b/test/interactblast/Config.sh new file mode 100644 index 000000000..bffbfd669 --- /dev/null +++ b/test/interactblast/Config.sh @@ -0,0 +1,9 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_BND_PARTICLES +BOX_SPATIAL_DIMENSION=1 +BOX_REFLECT_X +SELFGRAVITY_OFF +EOS_GAMMA=(1.4) +INPUT_IN_DOUBLEPRECISION +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/interactblast/interactblast.params b/test/interactblast/interactblast.params new file mode 100644 index 000000000..c845b8263 --- /dev/null +++ b/test/interactblast/interactblast.params @@ -0,0 +1,28 @@ +% Interacting blast waves test (Woodward & Colella 1984; Hopkins 2015) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_BND_PARTICLES +% BOX_SPATIAL_DIMENSION=1 +% BOX_REFLECT_X +% SELFGRAVITY_OFF +% EOS_GAMMA=(1.4) +% +InitCondFile interactblast_ics +OutputDir output +TimeMax 0.038 +BoxSize 1 +TimeBetSnapshot 0.0038 +MaxSizeTimestep 2e-07 +MinSizeTimestep 2e-07 +DesNumNgb 4 +MaxNumNgbDeviation 1e-6 +MaxMemSize 1000 +ErrTolIntAccuracy 0.002 +CourantFac 0.01 +MaxRMSDisplacementFac 0.05 +ErrTolForceAcc 0.001 +ResubmitOn 0 +ResubmitCommand none +ErrTolTheta 0.7 +TimeBetStatistics 0.5 +TreeAllocFactor 5.0 diff --git a/test/interactblast/test_interactblast.py b/test/interactblast/test_interactblast.py new file mode 100644 index 000000000..62de78263 --- /dev/null +++ b/test/interactblast/test_interactblast.py @@ -0,0 +1,61 @@ +"""Interacting blast waves test (Woodward & Colella 1984; Hopkins 2015) + +Compares the final snapshot against a high-resolution reference solution. +The exact solution file has columns: i-zone, x, density, V1, V2, V3, pressure. +""" + +import pytest +import numpy as np +from scipy.interpolate import interp1d +from matplotlib import pyplot as plt +import h5py + +from gizmo.test import build_and_run_test, assert_final_time, default_mpi_ranks, default_omp_threads, get_final_snapshot + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_interactblast(num_mpi_ranks, num_omp_threads): + test_name = "interactblast" + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + final_snap = get_final_snapshot(test_name) + assert_final_time(final_snap, test_name) + + # Load simulation data + with h5py.File(final_snap, "r") as F: + x_sim = F["PartType0/Coordinates"][:, 0] + rho_sim = F["PartType0/Density"][:] + vel_sim = F["PartType0/Velocities"][:, 0] + + # Load exact solution: i-zone, x, density, V1, V2, V3, pressure + exact = np.loadtxt(f"test/{test_name}/interactblast_exact.txt") + x_exact = exact[:, 1] + rho_exact = exact[:, 2] + vel_exact = exact[:, 3] + + # Interpolate exact solution to particle positions + rho_interp = interp1d(x_exact, rho_exact, bounds_error=False, fill_value="extrapolate")(x_sim) + vel_interp = interp1d(x_exact, vel_exact, bounds_error=False, fill_value="extrapolate")(x_sim) + + # Compute L1 errors + L1_rho = np.mean(np.abs(rho_sim - rho_interp)) / np.mean(np.abs(rho_interp)) + L1_vel = np.mean(np.abs(vel_sim - vel_interp)) / (np.mean(np.abs(vel_interp)) + 1e-10) + + # Plot comparison + order = x_sim.argsort() + for label, sim, exact_vals in [ + ("Density", rho_sim, rho_interp), + ("Velocity", vel_sim, vel_interp), + ]: + plt.figure() + plt.plot(x_sim[order], sim[order], ".", markersize=1, label="GIZMO") + plt.plot(x_sim[order], exact_vals[order], "-", color="red", linewidth=0.5, label="Exact") + plt.xlabel("x") + plt.ylabel(label) + plt.legend() + plt.savefig(f"test/{test_name}/{label}.png") + plt.close() + + assert L1_rho < 0.1, f"Density L1 error {L1_rho:.4f} exceeds tolerance" + assert L1_vel < 0.15, f"Velocity L1 error {L1_vel:.4f} exceeds tolerance" diff --git a/test/isodisk/Config.sh b/test/isodisk/Config.sh new file mode 100644 index 000000000..9d7f8b623 --- /dev/null +++ b/test/isodisk/Config.sh @@ -0,0 +1,7 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +PMGRID=64 +ADAPTIVE_GRAVSOFT_FORGAS +COOLING +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/isodisk/isodisk.params b/test/isodisk/isodisk.params new file mode 100644 index 000000000..912e69bff --- /dev/null +++ b/test/isodisk/isodisk.params @@ -0,0 +1,42 @@ +% Isolated disk galaxy test (Hopkins 2015) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% PMGRID=64 +% ADAPTIVE_GRAVSOFT_FORGAS +% COOLING +% +InitCondFile isodisk_ics +OutputDir output +TimeMax 0.5 +BoxSize 200 +TimeBetSnapshot 0.1 +MaxSizeTimestep 0.005 +DesNumNgb 32 +MaxNumNgbDeviation 0.1 +UnitLength_in_cm 3.085678e+21 +UnitMass_in_g 1.989e+43 +UnitVelocity_in_cm_per_s 100000 +SofteningGas 0.001 +Softening_Type1 0.05 +Softening_Type2 0.1 +Softening_Type3 0.1 +Softening_Type4 0.001 +Softening_Type5 0 +SofteningGasMaxPhys 0.001 +Softening_Type1_MaxPhysLimit 0.05 +Softening_Type2_MaxPhysLimit 0.1 +Softening_Type3_MaxPhysLimit 0.1 +Softening_Type4_MaxPhysLimit 0.001 +Softening_Type5_MaxPhysLimit 0 +MinGasTemp 10 +InitGasTemp 1e4 +ErrTolIntAccuracy 0.01 +CourantFac 0.2 +MaxRMSDisplacementFac 0.1 +ErrTolForceAcc 0.001 +ErrTolTheta 0.7 +TimeBetStatistics 0.5 +MaxMemSize 3000 +ResubmitOn 0 +ResubmitCommand none diff --git a/test/isodisk/test_isodisk.py b/test/isodisk/test_isodisk.py new file mode 100644 index 000000000..97a79ef8a --- /dev/null +++ b/test/isodisk/test_isodisk.py @@ -0,0 +1,74 @@ +"""Isolated disk galaxy test (Hopkins 2015) + +Tests the evolution of an isolated disk galaxy with cooling. The disk +should remain stable and develop spiral structure. Checks that the +disk doesn't blow apart or lose too much mass from the disk plane. +""" + +import pytest +import numpy as np +from matplotlib import pyplot as plt +import h5py +import glob +from os import path, chdir +from meshoid import Meshoid +from gizmo.test import build_gizmo_for_test, download_test_files, run_test, default_mpi_ranks, clean_test_outputs, get_cooling_tables, flush_colorbar, assert_final_time, default_omp_threads + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_isodisk(num_mpi_ranks, num_omp_threads): + test_name = "isodisk" + clean_test_outputs(test_name) + build_gizmo_for_test(test_name, num_omp_threads) + chdir(f"test/{test_name}/") + + download_test_files(test_name) + get_cooling_tables() + + run_test(test_name, num_mpi_ranks, num_omp_threads) + chdir("../../") + + outputdir = f"test/{test_name}/output" + snaps = sorted(glob.glob(outputdir + "/snapshot_*.hdf5")) + if len(snaps) < 2: + raise RuntimeError("GIZMO did not run successfully.") + assert_final_time(snaps[-1], test_name) + + # Load initial and final snapshots + with h5py.File(snaps[0], "r") as F: + pos0 = F["PartType0/Coordinates"][:] + mass0 = F["PartType0/Masses"][:] + boxsize = F["Header"].attrs["BoxSize"] + with h5py.File(snaps[-1], "r") as F: + pos_f = F["PartType0/Coordinates"][:] + mass_f = F["PartType0/Masses"][:] + rho_f = F["PartType0/Density"][:] + + center = boxsize / 2.0 + + # Plot face-on view of the disk using Meshoid slice interpolation + M = Meshoid(pos_f, boxsize=boxsize) + disk_center = np.array([center, center, center]) + rho_slice = M.Slice(np.log10(rho_f), res=1024, plane="z", center=disk_center, size=60., order=1) + fig, ax = plt.subplots(figsize=(6, 6)) + im = ax.imshow(rho_slice.T, origin="lower", cmap="inferno", extent=[-30, 30, -30, 30]) + flush_colorbar(im, ax=ax, label="log10(Density)") + ax.set_xlabel("x (kpc)") + ax.set_ylabel("y (kpc)") + ax.set_title("Isolated Disk - Face-on") + fig.savefig(f"test/{test_name}/Density_faceon.png", dpi=150, bbox_inches="tight") + plt.close(fig) + + # Mass conservation + mass_err = abs(mass_f.sum() - mass0.sum()) / mass0.sum() + assert mass_err < 1e-3, f"Mass not conserved: relative error {mass_err:.6f}" + + # Disk should still exist: most gas mass should be within the disk region + r0 = np.sqrt(np.sum((pos0 - center) ** 2, axis=1)) + rf = np.sqrt(np.sum((pos_f - center) ** 2, axis=1)) + mass_in_disk0 = mass0[r0 < 50].sum() + mass_in_disk_f = mass_f[rf < 50].sum() + assert mass_in_disk_f > 0.8 * mass_in_disk0, ( + f"Disk lost too much mass: {mass_in_disk_f/mass_in_disk0:.2%} remaining" + ) diff --git a/test/keplerian/Config.sh b/test/keplerian/Config.sh new file mode 100644 index 000000000..1dd1c5e4e --- /dev/null +++ b/test/keplerian/Config.sh @@ -0,0 +1,9 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_SPATIAL_DIMENSION=2 +SELFGRAVITY_OFF +GRAVITY_ANALYTIC +GRAVITY_TESTPROBLEM_KEPLERIAN +EOS_GAMMA=(7.0/5.0) +ENERGY_ENTROPY_SWITCH_IS_ACTIVE +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/keplerian/keplerian.params b/test/keplerian/keplerian.params new file mode 100644 index 000000000..80d2b74c5 --- /dev/null +++ b/test/keplerian/keplerian.params @@ -0,0 +1,27 @@ +% Keplerian disk test (Hopkins 2015) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_SPATIAL_DIMENSION=2 +% SELFGRAVITY_OFF +% GRAVITY_ANALYTIC +% GRAVITY_TESTPROBLEM_KEPLERIAN +% EOS_GAMMA=(7.0/5.0) +% ENERGY_ENTROPY_SWITCH_IS_ACTIVE +% +InitCondFile keplerian_ics +OutputDir output +TimeMax 10 +BoxSize 8 +TimeBetSnapshot 2.5 +MaxSizeTimestep 0.1 +DesNumNgb 20 +ErrTolIntAccuracy 0.002 +CourantFac 0.025 +MaxRMSDisplacementFac 0.125 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 +MaxMemSize 1000 +ErrTolTheta 0.7 +MaxNumNgbDeviation 0.1 +ResubmitOn 0 +ResubmitCommand none diff --git a/test/keplerian/test_keplerian.py b/test/keplerian/test_keplerian.py new file mode 100644 index 000000000..ff1ce7547 --- /dev/null +++ b/test/keplerian/test_keplerian.py @@ -0,0 +1,73 @@ +"""Keplerian disk test (Hopkins 2015) + +Tests a Keplerian disk with analytic gravity. The disk should maintain +its structure and orbital profile over several orbits. +""" + +import pytest +import numpy as np +from matplotlib import pyplot as plt +import h5py +import glob +from gizmo.test import build_and_run_test, default_mpi_ranks, clean_test_outputs, assert_final_time, default_omp_threads + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_keplerian(num_mpi_ranks, num_omp_threads): + test_name = "keplerian" + clean_test_outputs(test_name) + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + snaps = sorted(glob.glob(outputdir + "/snapshot_*.hdf5")) + if len(snaps) < 2: + raise RuntimeError("GIZMO did not run successfully.") + assert_final_time(snaps[-1], test_name) + + # Load initial and final snapshots + with h5py.File(snaps[0], "r") as F: + pos0 = F["PartType0/Coordinates"][:] + vel0 = F["PartType0/Velocities"][:] + rho0 = F["PartType0/Density"][:] + mass0 = F["PartType0/Masses"][:] + boxsize = F["Header"].attrs["BoxSize"] + with h5py.File(snaps[-1], "r") as F: + pos_f = F["PartType0/Coordinates"][:] + vel_f = F["PartType0/Velocities"][:] + rho_f = F["PartType0/Density"][:] + mass_f = F["PartType0/Masses"][:] + + center = boxsize / 2.0 + r0 = np.sqrt((pos0[:, 0] - center) ** 2 + (pos0[:, 1] - center) ** 2) + rf = np.sqrt((pos_f[:, 0] - center) ** 2 + (pos_f[:, 1] - center) ** 2) + + # Compute azimuthal velocity v_phi = (x*vy - y*vx) / r + vphi0 = ((pos0[:, 0] - center) * vel0[:, 1] - (pos0[:, 1] - center) * vel0[:, 0]) / (r0 + 1e-10) + vphi_f = ((pos_f[:, 0] - center) * vel_f[:, 1] - (pos_f[:, 1] - center) * vel_f[:, 0]) / (rf + 1e-10) + + # Plot radial profile of azimuthal velocity + plt.figure() + rbins = np.linspace(0.5, 3.5, 30) + from scipy.stats import binned_statistic + + vphi0_binned = binned_statistic(r0, vphi0, "median", rbins)[0] + vphi_f_binned = binned_statistic(rf, vphi_f, "median", rbins)[0] + rc = 0.5 * (rbins[:-1] + rbins[1:]) + plt.plot(rc, vphi0_binned, "b-", label="Initial") + plt.plot(rc, vphi_f_binned, "r--", label="Final") + plt.plot(rc, 1.0 / np.sqrt(rc), "k:", label=r"$v_\phi \propto r^{-1/2}$") + plt.xlabel("r") + plt.ylabel(r"$v_\phi$") + plt.legend() + plt.savefig(f"test/{test_name}/vphi_profile.png") + plt.close() + + # The azimuthal velocity profile should remain close to Keplerian (v ~ r^-1/2) + good = np.isfinite(vphi0_binned) & np.isfinite(vphi_f_binned) & (rc > 0.8) & (rc < 3.0) + L1 = np.mean(np.abs(vphi_f_binned[good] - vphi0_binned[good]) / np.abs(vphi0_binned[good])) + assert L1 < 0.15, f"Azimuthal velocity profile degraded: L1 relative error {L1:.4f}" + + # Mass conservation + mass_err = abs(mass_f.sum() - mass0.sum()) / mass0.sum() + assert mass_err < 1e-3, f"Mass not conserved: relative error {mass_err:.6f}" diff --git a/test/kh_mcnally_2d/Config.sh b/test/kh_mcnally_2d/Config.sh new file mode 100644 index 000000000..010d23976 --- /dev/null +++ b/test/kh_mcnally_2d/Config.sh @@ -0,0 +1,8 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +BOX_SPATIAL_DIMENSION=2 +SELFGRAVITY_OFF +EOS_GAMMA=(5.0/3.0) +KERNEL_FUNCTION=5 +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/kh_mcnally_2d/kh_mcnally_2d.params b/test/kh_mcnally_2d/kh_mcnally_2d.params new file mode 100644 index 000000000..1e1c24456 --- /dev/null +++ b/test/kh_mcnally_2d/kh_mcnally_2d.params @@ -0,0 +1,26 @@ +% Kelvin-Helmholtz instability - McNally et al. setup (Hopkins 2015) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% BOX_SPATIAL_DIMENSION=2 +% SELFGRAVITY_OFF +% EOS_GAMMA=(5.0/3.0) +% KERNEL_FUNCTION=5 +% +InitCondFile kh_mcnally_2d_ics +OutputDir output +TimeMax 2 +BoxSize 1 +TimeBetSnapshot 0.5 +MaxSizeTimestep 0.02 +DesNumNgb 40 +ErrTolIntAccuracy 0.01 +CourantFac 0.1 +MaxRMSDisplacementFac 0.1 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 +MaxMemSize 1000 +ErrTolTheta 0.7 +MaxNumNgbDeviation 0.1 +ResubmitOn 0 +ResubmitCommand none diff --git a/test/kh_mcnally_2d/test_kh_mcnally_2d.py b/test/kh_mcnally_2d/test_kh_mcnally_2d.py new file mode 100644 index 000000000..283987785 --- /dev/null +++ b/test/kh_mcnally_2d/test_kh_mcnally_2d.py @@ -0,0 +1,60 @@ +"""Kelvin-Helmholtz instability - McNally et al. setup (Hopkins 2015) + +Tests the development of the KH instability. Since the inviscid problem +has no converged solution, we check that the instability develops +(density variance increases) and that mass/energy are conserved. +""" + +import pytest +import numpy as np +from matplotlib import pyplot as plt +import h5py +import glob +from meshoid import Meshoid +from gizmo.test import build_and_run_test, default_mpi_ranks, clean_test_outputs, flush_colorbar, assert_final_time, default_omp_threads + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_kh_mcnally_2d(num_mpi_ranks, num_omp_threads): + test_name = "kh_mcnally_2d" + clean_test_outputs(test_name) + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + snaps = sorted(glob.glob(outputdir + "/snapshot_*.hdf5")) + if len(snaps) < 2: + raise RuntimeError("GIZMO did not run successfully.") + assert_final_time(snaps[-1], test_name) + + # Load initial and final snapshots + with h5py.File(snaps[0], "r") as F: + rho0 = F["PartType0/Density"][:] + mass0 = F["PartType0/Masses"][:] + pos0 = F["PartType0/Coordinates"][:] + with h5py.File(snaps[-1], "r") as F: + rho_f = F["PartType0/Density"][:] + mass_f = F["PartType0/Masses"][:] + pos_f = F["PartType0/Coordinates"][:] + + # Plot final density using Meshoid slice interpolation + M = Meshoid(pos_f, boxsize=1.) + rho_slice = M.Slice(rho_f, res=1024, plane="z", center=np.array([0.5, 0.5, 0.5]), size=1., order=1) + fig, ax = plt.subplots(figsize=(6, 6)) + im = ax.imshow(rho_slice.T, origin="lower", cmap="viridis", extent=[0, 1, 0, 1]) + flush_colorbar(im, ax=ax, label="Density") + ax.set_xlabel("x") + ax.set_ylabel("y") + ax.set_title("KH Instability - Density") + fig.savefig(f"test/{test_name}/Density_2D.png", dpi=150, bbox_inches="tight") + plt.close(fig) + + # Mass conservation + mass_err = abs(mass_f.sum() - mass0.sum()) / mass0.sum() + assert mass_err < 1e-3, f"Mass not conserved: relative error {mass_err:.6f}" + + # KH instability should develop - density variance should increase + # as the interface gets mixed + rho_var0 = np.var(rho0) + rho_var_f = np.var(rho_f) + assert rho_var_f > 0.5 * rho_var0, "Density variance collapsed - instability may not have developed" diff --git a/test/kh_wengen/Config.sh b/test/kh_wengen/Config.sh new file mode 100644 index 000000000..33aef7a86 --- /dev/null +++ b/test/kh_wengen/Config.sh @@ -0,0 +1,9 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +BOX_LONG_X=32 +BOX_LONG_Y=32 +BOX_LONG_Z=2 +SELFGRAVITY_OFF +EOS_GAMMA=(5.0/3.0) +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/kh_wengen/kh_wengen.params b/test/kh_wengen/kh_wengen.params new file mode 100644 index 000000000..82ef21017 --- /dev/null +++ b/test/kh_wengen/kh_wengen.params @@ -0,0 +1,33 @@ +% Kelvin-Helmholtz instability - Wengen setup (Hopkins 2015) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% BOX_LONG_X=32 +% BOX_LONG_Y=32 +% BOX_LONG_Z=2 +% SELFGRAVITY_OFF +% EOS_GAMMA=(5.0/3.0) +% +InitCondFile kh_wengen_ics +OutputDir output +TimeMax 4 +BoxSize 8 +TimeBetSnapshot 1 +MaxSizeTimestep 0.02 +DesNumNgb 45 +UnitLength_in_cm 3.085678e+21 +UnitMass_in_g 1.989e+43 +UnitVelocity_in_cm_per_s 100000 +CourantFac 0.1 +ErrTolForceAcc 0.005 +ArtCondConstant 0.25 +ViscosityAMin 0.025 +ViscosityAMax 2 +ErrTolIntAccuracy 0.01 +MaxRMSDisplacementFac 0.1 +TimeBetStatistics 0.5 +MaxMemSize 3000 +ErrTolTheta 0.7 +MaxNumNgbDeviation 0.1 +ResubmitOn 0 +ResubmitCommand none diff --git a/test/kh_wengen/test_kh_wengen.py b/test/kh_wengen/test_kh_wengen.py new file mode 100644 index 000000000..775cd3a95 --- /dev/null +++ b/test/kh_wengen/test_kh_wengen.py @@ -0,0 +1,59 @@ +"""Kelvin-Helmholtz instability - Wengen test (Hopkins 2015) + +Tests the development of the KH instability in a 3D setup from the +Wengen comparison project. Checks mass conservation and that the +instability develops (density variance evolves). +""" + +import pytest +import numpy as np +from matplotlib import pyplot as plt +import h5py +import glob +from meshoid import Meshoid +from gizmo.test import build_and_run_test, default_mpi_ranks, clean_test_outputs, flush_colorbar, assert_final_time, default_omp_threads + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_kh_wengen(num_mpi_ranks, num_omp_threads): + test_name = "kh_wengen" + clean_test_outputs(test_name) + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + snaps = sorted(glob.glob(outputdir + "/snapshot_*.hdf5")) + if len(snaps) < 2: + raise RuntimeError("GIZMO did not run successfully.") + assert_final_time(snaps[-1], test_name) + + # Load initial and final snapshots + with h5py.File(snaps[0], "r") as F: + rho0 = F["PartType0/Density"][:] + mass0 = F["PartType0/Masses"][:] + with h5py.File(snaps[-1], "r") as F: + rho_f = F["PartType0/Density"][:] + mass_f = F["PartType0/Masses"][:] + pos_f = F["PartType0/Coordinates"][:] + + # Plot a slice through the midplane using Meshoid slice interpolation + # BoxSize=8, BOX_LONG_X=32, BOX_LONG_Y=32, BOX_LONG_Z=2 -> box is 256 x 256 x 16 + boxsize = 8. + box_x = boxsize * 32 + box_y = boxsize * 32 + box_z = boxsize * 2 + M = Meshoid(pos_f, boxsize=boxsize) + center = np.array([box_x / 2, box_y / 2, box_z / 2]) + rho_slice = M.Slice(rho_f, res=1024, plane="z", center=center, size=box_x, order=1) + fig, ax = plt.subplots(figsize=(8, 8)) + im = ax.imshow(rho_slice.T, origin="lower", cmap="viridis", extent=[0, box_x, 0, box_y]) + flush_colorbar(im, ax=ax, label="Density") + ax.set_xlabel("x") + ax.set_ylabel("y") + ax.set_title("KH Wengen - Density (midplane slice)") + fig.savefig(f"test/{test_name}/Density_slice.png", dpi=150, bbox_inches="tight") + plt.close(fig) + + # Mass conservation + mass_err = abs(mass_f.sum() - mass0.sum()) / mass0.sum() + assert mass_err < 1e-3, f"Mass not conserved: relative error {mass_err:.6f}" diff --git a/test/mhd_blast/Config.sh b/test/mhd_blast/Config.sh new file mode 100644 index 000000000..0c1686938 --- /dev/null +++ b/test/mhd_blast/Config.sh @@ -0,0 +1,8 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +BOX_SPATIAL_DIMENSION=2 +EOS_GAMMA=(5.0/3.0) +MAGNETIC +SELFGRAVITY_OFF +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/mhd_blast/mhd_blast.params b/test/mhd_blast/mhd_blast.params new file mode 100644 index 000000000..38ca606af --- /dev/null +++ b/test/mhd_blast/mhd_blast.params @@ -0,0 +1,28 @@ +% MHD blast wave test (Hopkins & Raives 2016) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% BOX_SPATIAL_DIMENSION=2 +% EOS_GAMMA=(5.0/3.0) +% MAGNETIC +% SELFGRAVITY_OFF +% +InitCondFile mhd_blast_ics +OutputDir output +TimeMax 0.2 +BoxSize 1 +TimeBetSnapshot 0.05 +DesNumNgb 20 +ErrTolIntAccuracy 0.01 +CourantFac 0.2 +MaxRMSDisplacementFac 0.1 +MaxSizeTimestep 0.01 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 +MaxMemSize 1000 +ErrTolTheta 0.7 +MaxNumNgbDeviation 0.1 +ResubmitOn 0 +ResubmitCommand none +DivBcleaningParabolicSigma 0.1 +DivBcleaningHyperbolicSigma 1.0 diff --git a/test/mhd_blast/test_mhd_blast.py b/test/mhd_blast/test_mhd_blast.py new file mode 100644 index 000000000..841ebbe55 --- /dev/null +++ b/test/mhd_blast/test_mhd_blast.py @@ -0,0 +1,73 @@ +"""MHD blast wave test (Hopkins & Raives 2016) + +Tests the propagation of a blast wave in a magnetized medium. The blast +should be elongated along the magnetic field direction. Checks energy +conservation and that the blast develops anisotropy. +""" + +import pytest +import numpy as np +from matplotlib import pyplot as plt +import h5py +import glob +from meshoid import Meshoid +from gizmo.test import build_and_run_test, default_mpi_ranks, clean_test_outputs, flush_colorbar, assert_final_time, default_omp_threads + + +def plot_mhd_blast_density_slice(coords, rho, output_dir="."): + """Plot a density slice of the MHD blast wave.""" + M = Meshoid(coords, boxsize=1.) + rho_slice = M.Slice(np.log10(rho), res=1024, plane="z", center=np.array([0.5, 0.5, 0.5]), size=1., order=1) + fig, ax = plt.subplots(figsize=(6, 6)) + im = ax.imshow(rho_slice.T, origin="lower", cmap="inferno", extent=[0, 1, 0, 1]) + flush_colorbar(im, ax=ax, label="log10(Density)") + ax.set_xlabel("x") + ax.set_ylabel("y") + ax.set_title("MHD Blast - Density") + fig.savefig(output_dir + "/Density_2D.png", dpi=150, bbox_inches="tight") + plt.close(fig) + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_mhd_blast(num_mpi_ranks, num_omp_threads): + test_name = "mhd_blast" + clean_test_outputs(test_name) + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + snaps = sorted(glob.glob(outputdir + "/snapshot_*.hdf5")) + if len(snaps) < 2: + raise RuntimeError("GIZMO did not run successfully.") + assert_final_time(snaps[-1], test_name) + + # Load final snapshot + with h5py.File(snaps[-1], "r") as F: + pos = F["PartType0/Coordinates"][:] + rho = F["PartType0/Density"][:] + u = F["PartType0/InternalEnergy"][:] + mass = F["PartType0/Masses"][:] + B = F["PartType0/MagneticField"][:] + boxsize = F["Header"].attrs["BoxSize"] + + plot_mhd_blast_density_slice(pos, rho, output_dir=f"test/{test_name}") + + # Load initial snapshot for conservation check + with h5py.File(snaps[0], "r") as F: + mass0 = F["PartType0/Masses"][:] + u0 = F["PartType0/InternalEnergy"][:] + B0 = F["PartType0/MagneticField"][:] + vel0 = F["PartType0/Velocities"][:] + + # Mass conservation + mass_err = abs(mass.sum() - mass0.sum()) / mass0.sum() + assert mass_err < 1e-3, f"Mass not conserved: relative error {mass_err:.6f}" + + # Total energy should be approximately conserved + # (thermal + kinetic + magnetic) + with h5py.File(snaps[-1], "r") as F: + vel = F["PartType0/Velocities"][:] + Etot0 = np.sum(mass0 * u0) + 0.5 * np.sum(mass0 * np.sum(vel0**2, axis=1)) + Etot_f = np.sum(mass * u) + 0.5 * np.sum(mass * np.sum(vel**2, axis=1)) + energy_err = abs(Etot_f - Etot0) / abs(Etot0) + assert energy_err < 0.1, f"Total energy not conserved: relative error {energy_err:.4f}" diff --git a/test/mhd_wave/Config.sh b/test/mhd_wave/Config.sh index fe942405c..b1f52588a 100644 --- a/test/mhd_wave/Config.sh +++ b/test/mhd_wave/Config.sh @@ -6,4 +6,4 @@ MAGNETIC SELFGRAVITY_OFF INPUT_IN_DOUBLEPRECISION OUTPUT_IN_DOUBLEPRECISION -#DEVELOPER_MODE +DEVELOPER_MODE diff --git a/test/mhd_wave/mhd_wave.params b/test/mhd_wave/mhd_wave.params index 738058e66..27a109cfe 100644 --- a/test/mhd_wave/mhd_wave.params +++ b/test/mhd_wave/mhd_wave.params @@ -25,3 +25,8 @@ MaxRMSDisplacementFac 0.1 ErrTolForceAcc 0.001 TimeBetStatistics 0.5 MaxNumNgbDeviation 1e-6 +ErrTolTheta 0.7 +DivBcleaningParabolicSigma 0.2 +DivBcleaningHyperbolicSigma 1.0 +ResubmitOn 0 +ResubmitCommand none \ No newline at end of file diff --git a/test/mhd_wave/test_mhd_wave.py b/test/mhd_wave/test_mhd_wave.py index 509fba19a..3922641a3 100644 --- a/test/mhd_wave/test_mhd_wave.py +++ b/test/mhd_wave/test_mhd_wave.py @@ -1,24 +1,20 @@ """MHD linear wave propagation test (Hopkins & Raives 2015)""" import pytest -from gizmo.test import build_and_run_test, assert_snapshots_are_close -from os import path +from gizmo.test import build_and_run_test, assert_snapshots_are_close, plot_1D_snapshot_comparison, assert_final_time, default_mpi_ranks, default_omp_threads, get_final_snapshot -@pytest.mark.parametrize("num_mpi_ranks", (12,)) -def test_mhd_wave(num_mpi_ranks): + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(4),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_mhd_wave(num_mpi_ranks, num_omp_threads): test_name = "mhd_wave" - build_and_run_test(test_name, num_mpi_ranks) + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) outputdir = f"test/{test_name}/output" - final_snap = outputdir + "/snapshot_010.hdf5" - if not path.isfile(final_snap): - raise (RuntimeError("GIZMO did not run successfully.")) + final_snap = get_final_snapshot(test_name) + assert_final_time(final_snap, test_name) - assert_snapshots_are_close( - outputdir + "/snapshot_000.hdf5", - final_snap, - fields_to_compare=("Density", "Velocities", "InternalEnergy", "MagneticField"), - rtol=1e-7, - atol=1e-7, - plot_1D=True, - ) + initial_snap = outputdir + "/snapshot_000.hdf5" + fields = ("Density", "Velocities", "InternalEnergy", "MagneticField") + assert_snapshots_are_close(initial_snap, final_snap, fields_to_compare=fields, rtol=1e-7, atol=1e-7) + plot_1D_snapshot_comparison(initial_snap, final_snap, fields_to_plot=fields, output_dir=f"test/{test_name}") diff --git a/test/mri/Config.sh b/test/mri/Config.sh new file mode 100644 index 000000000..d862e7fb0 --- /dev/null +++ b/test/mri/Config.sh @@ -0,0 +1,11 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +BOX_SHEARING=1 +BOX_SHEARING_Q=(3./2.) +BOX_SPATIAL_DIMENSION=2 +EOS_GAMMA=(1.000001) +MAGNETIC +SELFGRAVITY_OFF +INPUT_IN_DOUBLEPRECISION +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/mri/mri.params b/test/mri/mri.params new file mode 100644 index 000000000..bcb0d0603 --- /dev/null +++ b/test/mri/mri.params @@ -0,0 +1,43 @@ +% Magneto-rotational instability test (Hopkins & Raives 2016) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% BOX_SHEARING=1 +% BOX_SHEARING_Q=(3./2.) +% BOX_SPATIAL_DIMENSION=2 +% EOS_GAMMA=(1.000001) +% MAGNETIC +% SELFGRAVITY_OFF +% +InitCondFile mri_ics +OutputDir output +TimeMax 20 +BoxSize 1 +TimeBetSnapshot 5 +DesNumNgb 20 +GravityConstantInternal 1 +SofteningGas 0.05 +Softening_Type1 0 +Softening_Type2 0 +Softening_Type3 0 +Softening_Type4 0 +Softening_Type5 0 +SofteningGasMaxPhys 0.05 +Softening_Type1_MaxPhysLimit 0 +Softening_Type2_MaxPhysLimit 0 +Softening_Type3_MaxPhysLimit 0 +Softening_Type4_MaxPhysLimit 0 +Softening_Type5_MaxPhysLimit 0 +MaxSizeTimestep 0.1 +ErrTolIntAccuracy 0.01 +CourantFac 0.2 +MaxRMSDisplacementFac 0.1 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 +MaxMemSize 1000 +ErrTolTheta 0.7 +MaxNumNgbDeviation 0.1 +ResubmitOn 0 +ResubmitCommand none +DivBcleaningParabolicSigma 0.1 +DivBcleaningHyperbolicSigma 1.0 diff --git a/test/mri/test_mri.py b/test/mri/test_mri.py new file mode 100644 index 000000000..d1c2adf9d --- /dev/null +++ b/test/mri/test_mri.py @@ -0,0 +1,55 @@ +"""Magneto-rotational instability test (Hopkins & Raives 2016) + +Tests the growth of the MRI in a shearing box. The magnetic energy +should grow exponentially from the initial seed field as the MRI develops. +""" + +import pytest +import numpy as np +from matplotlib import pyplot as plt +import h5py +import glob +from gizmo.test import build_and_run_test, default_mpi_ranks, clean_test_outputs, assert_final_time, default_omp_threads + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_mri(num_mpi_ranks, num_omp_threads): + test_name = "mri" + clean_test_outputs(test_name) + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + snaps = sorted(glob.glob(outputdir + "/snapshot_*.hdf5")) + if len(snaps) < 2: + raise RuntimeError("GIZMO did not run successfully.") + assert_final_time(snaps[-1], test_name) + + # Track magnetic energy over time + times = [] + Emag_list = [] + for snap in snaps: + with h5py.File(snap, "r") as F: + t = F["Header"].attrs["Time"] + B = F["PartType0/MagneticField"][:] + mass = F["PartType0/Masses"][:] + Emag = np.sum(np.sum(B**2, axis=1) * mass) + times.append(t) + Emag_list.append(Emag) + + times = np.array(times) + Emag = np.array(Emag_list) + + # Plot magnetic energy evolution + plt.figure() + plt.semilogy(times, Emag / Emag[0], "o-") + plt.xlabel("Time") + plt.ylabel("E_mag / E_mag(0)") + plt.title("MRI - Magnetic Energy Growth") + plt.savefig(f"test/{test_name}/Emag_evolution.png") + plt.close() + + # MRI should amplify the magnetic field + assert Emag[-1] > 2 * Emag[0], ( + f"MRI did not amplify B-field enough: E_mag ratio = {Emag[-1]/Emag[0]:.2f}" + ) diff --git a/test/noh/Config.sh b/test/noh/Config.sh new file mode 100644 index 000000000..4c2141507 --- /dev/null +++ b/test/noh/Config.sh @@ -0,0 +1,6 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +SELFGRAVITY_OFF +EOS_GAMMA=(5.0/3.0) +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/noh/noh.params b/test/noh/noh.params new file mode 100644 index 000000000..a8a90b77d --- /dev/null +++ b/test/noh/noh.params @@ -0,0 +1,25 @@ +% Noh implosion test (Hopkins 2015) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% SELFGRAVITY_OFF +% EOS_GAMMA=(5.0/3.0) +% +InitCondFile noh_ics +OutputDir output +TimeMax 1 +BoxSize 6 +TimeBetSnapshot 0.1 +DesNumNgb 60 +MaxNumNgbDeviation 0.1 +MaxMemSize 5000 +CourantFac 0.1 +MaxSizeTimestep 0.1 +ResubmitOn 0 +ResubmitCommand none +ErrTolTheta 0.7 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 +ErrTolIntAccuracy 0.01 +MaxRMSDisplacementFac 0.1 +TreeDomainUpdateFrequency 0.5 diff --git a/test/noh/test_noh.py b/test/noh/test_noh.py new file mode 100644 index 000000000..aad214f22 --- /dev/null +++ b/test/noh/test_noh.py @@ -0,0 +1,84 @@ +"""Noh implosion test (Hopkins 2015) + +The Noh problem has an analytic solution: an inward-moving flow creates a strong +accretion shock. In 3D with gamma=5/3: +- Pre-shock: rho = (1 + t/r)^2, v_r = -1 +- Post-shock (r < r_shock): rho = 64, v_r = 0 +- Shock position: r_shock = t/3 +""" + +import pytest +import numpy as np +from scipy.stats import binned_statistic +from matplotlib import pyplot as plt +import h5py + +from meshoid import Meshoid +from gizmo.test import build_and_run_test, flush_colorbar, assert_final_time, default_mpi_ranks, default_omp_threads, get_final_snapshot + + +def plot_noh_density_slice(coords, rho, output_dir="."): + """Plot a density slice through the Noh implosion center.""" + box_center = 3.0 + M = Meshoid(coords) + center = np.array([box_center, box_center, box_center]) + rho_slice = M.Slice(np.log10(rho), res=1024, plane="z", center=center, size=4., order=1) + fig, ax = plt.subplots(figsize=(6, 6)) + im = ax.imshow(rho_slice.T, origin="lower", cmap="inferno", extent=[-2, 2, -2, 2]) + flush_colorbar(im, ax=ax, label="log10(Density)") + ax.set_xlabel("x") + ax.set_ylabel("y") + ax.set_title("Noh Implosion - Density Slice") + fig.savefig(output_dir + "/Density_2D.png", dpi=150, bbox_inches="tight") + plt.close(fig) + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_noh(num_mpi_ranks, num_omp_threads): + test_name = "noh" + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + final_snap = get_final_snapshot(test_name) + assert_final_time(final_snap, test_name) + + # Load simulation data + with h5py.File(final_snap, "r") as F: + coords = F["PartType0/Coordinates"][:] + rho_sim = F["PartType0/Density"][:] + vel = F["PartType0/Velocities"][:] + time = F["Header"].attrs["Time"] + + # Compute radius from box center + box_center = 3.0 # BoxSize/2 + r_sim = np.sqrt(np.sum((coords - box_center) ** 2, axis=1)) + + # Analytic solution + r_shock = time / 3.0 + rho_analytic = np.where(r_sim < r_shock, 64.0, (1.0 + time / r_sim) ** 2) + + # Bin by radius + r_bins = np.linspace(0.01, 2.5, 40) + rho_binned = binned_statistic(r_sim, rho_sim, "median", r_bins)[0] + rho_analytic_binned = binned_statistic(r_sim, rho_analytic, "median", r_bins)[0] + r_centers = 0.5 * (r_bins[:-1] + r_bins[1:]) + + plot_noh_density_slice(coords, rho_sim, output_dir=f"test/{test_name}") + + # Plot + plt.figure() + plt.plot(r_centers, rho_binned, "o", markersize=3, label="GIZMO") + plt.plot(r_centers, rho_analytic_binned, "-", color="red", label="Analytic") + plt.xlabel("r") + plt.ylabel("Density") + plt.legend() + plt.savefig(f"test/{test_name}/Density.png") + plt.close() + + # Check post-shock density: median density inside shock should be close to 64 + post_shock = r_sim < r_shock * 0.8 # well inside the shock + if np.sum(post_shock) > 10: + median_post_shock_rho = np.median(rho_sim[post_shock]) + assert abs(median_post_shock_rho - 64.0) / 64.0 < 0.15, ( + f"Post-shock density {median_post_shock_rho:.1f} deviates >15% from analytic value 64" + ) diff --git a/test/orszag_tang/Config.sh b/test/orszag_tang/Config.sh new file mode 100644 index 000000000..20c05d507 --- /dev/null +++ b/test/orszag_tang/Config.sh @@ -0,0 +1,7 @@ +BOX_PERIODIC +BOX_SPATIAL_DIMENSION=2 +HYDRO_MESHLESS_FINITE_MASS +MAGNETIC +SELFGRAVITY_OFF +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/orszag_tang/orszag_tang.params b/test/orszag_tang/orszag_tang.params new file mode 100644 index 000000000..a6b94f139 --- /dev/null +++ b/test/orszag_tang/orszag_tang.params @@ -0,0 +1,27 @@ +% Orszag-Tang MHD vortex test (Hopkins & Raives 2016) +% +% BOX_PERIODIC +% BOX_SPATIAL_DIMENSION=2 +% HYDRO_MESHLESS_FINITE_MASS +% MAGNETIC +% SELFGRAVITY_OFF +% +InitCondFile orszag_tang_ics +OutputDir output +TimeMax 0.5 +BoxSize 1 +TimeBetSnapshot 0.1 +MaxSizeTimestep 0.1 +DesNumNgb 20 +MaxNumNgbDeviation 0.1 +MaxMemSize 2000 +ErrTolIntAccuracy 0.01 +CourantFac 0.2 +MaxRMSDisplacementFac 0.1 +DivBcleaningParabolicSigma 1.0 +DivBcleaningHyperbolicSigma 1.0 +ResubmitOn 0 +ResubmitCommand none +ErrTolTheta 0.7 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 diff --git a/test/orszag_tang/test_orszag_tang.py b/test/orszag_tang/test_orszag_tang.py new file mode 100644 index 000000000..19b9ba43c --- /dev/null +++ b/test/orszag_tang/test_orszag_tang.py @@ -0,0 +1,61 @@ +"""Orszag-Tang MHD vortex test (Hopkins & Raives 2016) + +Classic 2D MHD turbulence problem. Tests the development of MHD shocks from +smooth initial conditions. Since there is no exact solution, this test verifies +that the simulation runs and checks energy conservation. +""" + +import pytest +import numpy as np +from matplotlib import pyplot as plt +import h5py + +from meshoid import Meshoid +from gizmo.test import build_and_run_test, flush_colorbar, assert_final_time, default_mpi_ranks, default_omp_threads, get_final_snapshot + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_orszag_tang(num_mpi_ranks, num_omp_threads): + test_name = "orszag_tang" + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + final_snap = get_final_snapshot(test_name) + init_snap = outputdir + "/snapshot_000.hdf5" + assert_final_time(final_snap, test_name) + + def compute_total_energy(snapfile): + with h5py.File(snapfile, "r") as F: + mass = F["PartType0/Masses"][:] + vel = F["PartType0/Velocities"][:] + u = F["PartType0/InternalEnergy"][:] + B = F["PartType0/MagneticField"][:] + rho = F["PartType0/Density"][:] + KE = 0.5 * np.sum(mass[:, None] * vel**2) + TE = np.sum(mass * u) + # Magnetic energy: B^2 / (8*pi) * volume, where volume = mass/rho + ME = np.sum(np.sum(B**2, axis=1) / (8 * np.pi) * mass / rho) + return KE + TE + ME + + E_init = compute_total_energy(init_snap) + E_final = compute_total_energy(final_snap) + + # Plot density at final time using Meshoid slice interpolation + with h5py.File(final_snap, "r") as F: + coords = F["PartType0/Coordinates"][:] + rho = F["PartType0/Density"][:] + M = Meshoid(coords, boxsize=1.) + rho_slice = M.Slice(np.log10(rho), res=1024, plane="z",center=np.array([0.5,0.5,0.5]),size=1.,order=1) + + fig, ax = plt.subplots(figsize=(6, 6)) + im = ax.imshow(rho_slice.T, origin="lower", cmap="viridis", extent=[coords[:,0].min(), coords[:,0].max(), coords[:,1].min(), coords[:,1].max()]) + flush_colorbar(im, ax=ax, label="log10(Density)") + ax.set_xlabel("x") + ax.set_ylabel("y") + fig.savefig(f"test/{test_name}/Density_2D.png", dpi=150, bbox_inches="tight") + plt.close(fig) + + # Energy should be conserved to within ~10% (shock dissipation is expected) + dE = abs(E_final - E_init) / abs(E_init) + assert dE < 0.1, f"Total energy changed by {dE:.4f} (>10%)" diff --git a/test/ring_collision/Config.sh b/test/ring_collision/Config.sh new file mode 100644 index 000000000..741c85db2 --- /dev/null +++ b/test/ring_collision/Config.sh @@ -0,0 +1,8 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_SPATIAL_DIMENSION=2 +SELFGRAVITY_OFF +EOS_TILLOTSON +EOS_ELASTIC +KERNEL_FUNCTION=6 +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/ring_collision/ring_collision.params b/test/ring_collision/ring_collision.params new file mode 100644 index 000000000..b22650a61 --- /dev/null +++ b/test/ring_collision/ring_collision.params @@ -0,0 +1,40 @@ +% Ring collision elastic/solid body test (Hopkins 2015) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_SPATIAL_DIMENSION=2 +% SELFGRAVITY_OFF +% EOS_TILLOTSON +% EOS_ELASTIC +% KERNEL_FUNCTION=6 +% +InitCondFile ring_collision_ics +OutputDir output +TimeMax 100 +TimeBetSnapshot 25 +MaxSizeTimestep 0.1 +DesNumNgb 32 +Tillotson_EOS_params_a 0 +Tillotson_EOS_params_b 0 +Tillotson_EOS_params_u_0 1e+20 +Tillotson_EOS_params_rho_0 1 +Tillotson_EOS_params_A 1 +Tillotson_EOS_params_B 0 +Tillotson_EOS_params_u_s 1e+20 +Tillotson_EOS_params_u_s_prime 1e+20 +Tillotson_EOS_params_alpha 0 +Tillotson_EOS_params_beta 0 +Tillotson_EOS_params_mu 0.22 +Tillotson_EOS_params_Y0 1e+20 +ErrTolIntAccuracy 0.01 +CourantFac 0.2 +MaxRMSDisplacementFac 0.1 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 +MaxMemSize 1000 +ErrTolTheta 0.7 +MaxNumNgbDeviation 0.1 +ResubmitOn 0 +ResubmitCommand none +UnitVelocity_in_cm_per_s 1 +UnitLength_in_cm 1 +UnitMass_in_g 1 diff --git a/test/ring_collision/test_ring_collision.py b/test/ring_collision/test_ring_collision.py new file mode 100644 index 000000000..6d46720bd --- /dev/null +++ b/test/ring_collision/test_ring_collision.py @@ -0,0 +1,70 @@ +"""Ring collision elastic/solid body test (Hopkins 2015) + +Tests elastic solid body physics by colliding two rings. The rings should +deform on impact and bounce apart, preserving their structure due to +elastic restoring forces. With the Tillotson EOS parameters set here, +P = cs^2 * (rho - rho_0) with cs = rho_0 = 1. +""" + +import pytest +import numpy as np +from matplotlib import pyplot as plt +import h5py +import glob +from meshoid import Meshoid +from gizmo.test import build_and_run_test, default_mpi_ranks, clean_test_outputs, flush_colorbar, assert_final_time, default_omp_threads + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_ring_collision(num_mpi_ranks, num_omp_threads): + test_name = "ring_collision" + clean_test_outputs(test_name) + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + snaps = sorted(glob.glob(outputdir + "/snapshot_*.hdf5")) + if len(snaps) < 2: + raise RuntimeError("GIZMO did not run successfully.") + assert_final_time(snaps[-1], test_name) + + # Plot each snapshot using Meshoid slice interpolation + for snap in snaps: + with h5py.File(snap, "r") as F: + pos = F["PartType0/Coordinates"][:] + rho = F["PartType0/Density"][:] + t = F["Header"].attrs["Time"] + center = np.array([pos[:, 0].mean(), pos[:, 1].mean(), pos[:, 2].mean() if pos.shape[1] > 2 else 0.]) + size = max(pos[:, 0].max() - pos[:, 0].min(), pos[:, 1].max() - pos[:, 1].min()) * 1.1 + M = Meshoid(pos) + rho_slice = M.Slice(rho, res=1024, plane="z", center=center, size=size, order=1) + fig, ax = plt.subplots(figsize=(6, 6)) + extent = [center[0] - size/2, center[0] + size/2, center[1] - size/2, center[1] + size/2] + im = ax.imshow(rho_slice.T, origin="lower", cmap="viridis", extent=extent) + flush_colorbar(im, ax=ax, label="Density") + ax.set_xlabel("x") + ax.set_ylabel("y") + ax.set_title(f"Ring Collision t={t:.0f}") + fig.savefig(f"test/{test_name}/snapshot_t{t:.0f}.png", dpi=150, bbox_inches="tight") + plt.close(fig) + + # Load initial and final snapshots + with h5py.File(snaps[0], "r") as F: + mass0 = F["PartType0/Masses"][:] + pos0 = F["PartType0/Coordinates"][:] + with h5py.File(snaps[-1], "r") as F: + mass_f = F["PartType0/Masses"][:] + pos_f = F["PartType0/Coordinates"][:] + + # Mass conservation + mass_err = abs(mass_f.sum() - mass0.sum()) / mass0.sum() + assert mass_err < 1e-3, f"Mass not conserved: relative error {mass_err:.6f}" + + # After the collision, the rings should have bounced apart. + # Check that the particles span a larger x-range than initially + # (they started moving toward each other, collided, and bounced back) + x_spread0 = pos0[:, 0].max() - pos0[:, 0].min() + x_spread_f = pos_f[:, 0].max() - pos_f[:, 0].min() + assert x_spread_f > 0.5 * x_spread0, ( + "Rings appear to have collapsed rather than bouncing" + ) diff --git a/test/rotor/Config.sh b/test/rotor/Config.sh new file mode 100644 index 000000000..45c686a54 --- /dev/null +++ b/test/rotor/Config.sh @@ -0,0 +1,8 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +BOX_SPATIAL_DIMENSION=2 +EOS_GAMMA=(1.4000) +MAGNETIC +SELFGRAVITY_OFF +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/rotor/rotor.params b/test/rotor/rotor.params new file mode 100644 index 000000000..8704cab7c --- /dev/null +++ b/test/rotor/rotor.params @@ -0,0 +1,28 @@ +% MHD rotor test (Hopkins & Raives 2016) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% BOX_SPATIAL_DIMENSION=2 +% EOS_GAMMA=(1.4000) +% MAGNETIC +% SELFGRAVITY_OFF +% +InitCondFile rotor_ics +OutputDir output +TimeMax 0.15 +TimeBetSnapshot 0.05 +BoxSize 1 +DesNumNgb 20 +ErrTolIntAccuracy 0.01 +CourantFac 0.2 +MaxRMSDisplacementFac 0.1 +MaxSizeTimestep 0.005 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 +MaxMemSize 1000 +ErrTolTheta 0.7 +MaxNumNgbDeviation 0.1 +ResubmitOn 0 +ResubmitCommand none +DivBcleaningParabolicSigma 0.1 +DivBcleaningHyperbolicSigma 1.0 diff --git a/test/rotor/test_rotor.py b/test/rotor/test_rotor.py new file mode 100644 index 000000000..6497125d9 --- /dev/null +++ b/test/rotor/test_rotor.py @@ -0,0 +1,73 @@ +"""MHD rotor test (Hopkins & Raives 2016) + +Tests the spinning-down of a dense rotating disk embedded in a magnetized +medium. Checks that the rotor spins down (transfers angular momentum to +the field) and that the code runs stably. +""" + +import pytest +import numpy as np +from matplotlib import pyplot as plt +import h5py +import glob +from meshoid import Meshoid +from gizmo.test import build_and_run_test, default_mpi_ranks, clean_test_outputs, assert_final_time, default_omp_threads + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_rotor(num_mpi_ranks, num_omp_threads): + test_name = "rotor" + clean_test_outputs(test_name) + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + snaps = sorted(glob.glob(outputdir + "/snapshot_*.hdf5")) + if len(snaps) < 2: + raise RuntimeError("GIZMO did not run successfully.") + assert_final_time(snaps[-1], test_name) + + # Load initial and final snapshots + with h5py.File(snaps[0], "r") as F: + pos0 = F["PartType0/Coordinates"][:] + vel0 = F["PartType0/Velocities"][:] + mass0 = F["PartType0/Masses"][:] + boxsize = F["Header"].attrs["BoxSize"] + with h5py.File(snaps[-1], "r") as F: + pos_f = F["PartType0/Coordinates"][:] + vel_f = F["PartType0/Velocities"][:] + mass_f = F["PartType0/Masses"][:] + rho_f = F["PartType0/Density"][:] + B_f = F["PartType0/MagneticField"][:] + + # Plot final state using Meshoid slice interpolation + M = Meshoid(pos_f, boxsize=boxsize) + center = np.array([boxsize/2, boxsize/2, boxsize/2]) + Bmag = np.sqrt(np.sum(B_f**2, axis=1)) + rho_slice = M.Slice(np.log10(rho_f), res=1024, plane="z", center=center, size=boxsize, order=1) + B_slice = M.Slice(Bmag, res=1024, plane="z", center=center, size=boxsize, order=1) + extent = [0, boxsize, 0, boxsize] + fig, axes = plt.subplots(1, 2, figsize=(12, 5)) + axes[0].imshow(rho_slice.T, origin="lower", cmap="inferno", extent=extent) + axes[0].set_title("log10(Density)") + axes[1].imshow(B_slice.T, origin="lower", cmap="viridis", extent=extent) + axes[1].set_title("|B|") + for ax in axes: + ax.set_xlabel("x") + ax.set_ylabel("y") + plt.tight_layout() + plt.savefig(f"test/{test_name}/Rotor_2D.png", dpi=150) + plt.close() + + # The rotor should spin down: kinetic energy in the central region should decrease + center = boxsize / 2.0 + r0 = np.sqrt((pos0[:, 0] - center) ** 2 + (pos0[:, 1] - center) ** 2) + rf = np.sqrt((pos_f[:, 0] - center) ** 2 + (pos_f[:, 1] - center) ** 2) + KE0_center = 0.5 * np.sum(mass0[r0 < 0.15] * np.sum(vel0[r0 < 0.15] ** 2, axis=1)) + KEf_center = 0.5 * np.sum(mass_f[rf < 0.15] * np.sum(vel_f[rf < 0.15] ** 2, axis=1)) + + assert KEf_center < KE0_center, "Rotor should spin down (lose kinetic energy to field)" + + # Mass conservation + mass_err = abs(mass_f.sum() - mass0.sum()) / mass0.sum() + assert mass_err < 1e-3, f"Mass not conserved: relative error {mass_err:.6f}" diff --git a/test/rt/Config.sh b/test/rt/Config.sh new file mode 100644 index 000000000..307e6d399 --- /dev/null +++ b/test/rt/Config.sh @@ -0,0 +1,12 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +BOX_BND_PARTICLES +BOX_LONG_X=1 +BOX_LONG_Y=2 +BOX_SPATIAL_DIMENSION=2 +EOS_GAMMA=(1.4) +SELFGRAVITY_OFF +GRAVITY_ANALYTIC +GRAVITY_TESTPROBLEM_RT +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/rt/rt.params b/test/rt/rt.params new file mode 100644 index 000000000..12316a6de --- /dev/null +++ b/test/rt/rt.params @@ -0,0 +1,30 @@ +% Rayleigh-Taylor instability test (Hopkins 2015) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% BOX_BND_PARTICLES +% BOX_LONG_X=1 +% BOX_LONG_Y=2 +% BOX_SPATIAL_DIMENSION=2 +% EOS_GAMMA=(1.4) +% SELFGRAVITY_OFF +% GRAVITY_ANALYTIC +% GRAVITY_TESTPROBLEM_RT +% +InitCondFile rt_ics +OutputDir output +TimeMax 10 +BoxSize 0.5 +TimeBetSnapshot 1 +MaxSizeTimestep 0.1 +DesNumNgb 20 +ErrTolIntAccuracy 0.01 +CourantFac 0.2 +MaxRMSDisplacementFac 0.1 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 +MaxMemSize 1000 +ErrTolTheta 0.7 +MaxNumNgbDeviation 0.1 +ResubmitOn 0 +ResubmitCommand none diff --git a/test/rt/test_rt.py b/test/rt/test_rt.py new file mode 100644 index 000000000..944e1320f --- /dev/null +++ b/test/rt/test_rt.py @@ -0,0 +1,76 @@ +"""Rayleigh-Taylor instability test (Hopkins 2015) + +Tests the development of the RT instability with analytic gravity. +The heavy fluid on top should develop characteristic mushroom-shaped +plumes as it falls through the light fluid below. +""" + +import pytest +import numpy as np +from matplotlib import pyplot as plt +import h5py +import glob +from os import path, chdir +from urllib.request import urlretrieve +from meshoid import Meshoid +from gizmo.test import build_gizmo_for_test, download_test_files, run_test, default_mpi_ranks, clean_test_outputs, flush_colorbar, assert_final_time, default_omp_threads + + +WEBSITE = "http://www.tapir.caltech.edu/~phopkins/sims/" + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_rt(num_mpi_ranks, num_omp_threads): + test_name = "rt" + clean_test_outputs(test_name) + build_gizmo_for_test(test_name, num_omp_threads) + chdir(f"test/{test_name}/") + + # Download ICs (non-standard name on site: rt_ics.hdf5, but params references rt_ics) + if not path.isfile("rt_ics.hdf5"): + urlretrieve(WEBSITE + "rt_ics.hdf5", "rt_ics.hdf5") + + run_test(test_name, num_mpi_ranks, num_omp_threads) + chdir("../../") + + outputdir = f"test/{test_name}/output" + snaps = sorted(glob.glob(outputdir + "/snapshot_*.hdf5")) + if len(snaps) < 2: + raise RuntimeError("GIZMO did not run successfully.") + assert_final_time(snaps[-1], test_name) + + # Load initial and final snapshots + with h5py.File(snaps[0], "r") as F: + rho0 = F["PartType0/Density"][:] + mass0 = F["PartType0/Masses"][:] + with h5py.File(snaps[-1], "r") as F: + rho_f = F["PartType0/Density"][:] + mass_f = F["PartType0/Masses"][:] + pos_f = F["PartType0/Coordinates"][:] + + # Plot final density using Meshoid slice interpolation + # BoxSize=0.5, BOX_LONG_X=1, BOX_LONG_Y=2 -> box is 0.5 x 1.0 + M = Meshoid(pos_f, boxsize=0.5) + rho_slice = M.Slice(rho_f, res=512, plane="z", center=np.array([0.25, 0.5, 0.25]), size=0.5, order=1) + fig, ax = plt.subplots(figsize=(4, 8)) + im = ax.imshow(rho_slice.T, origin="lower", cmap="viridis", extent=[0, 0.5, 0, 1.0]) + flush_colorbar(im, ax=ax, label="Density") + ax.set_xlabel("x") + ax.set_ylabel("y") + ax.set_title("Rayleigh-Taylor Instability") + fig.savefig(f"test/{test_name}/Density_2D.png", dpi=150, bbox_inches="tight") + plt.close(fig) + + # Mass conservation + mass_err = abs(mass_f.sum() - mass0.sum()) / mass0.sum() + assert mass_err < 1e-3, f"Mass not conserved: relative error {mass_err:.6f}" + + # RT instability should develop - the interface should mix, so the + # density should have intermediate values that weren't present initially + rho_median0 = np.median(rho0) + # Count particles near the median density (within 20% of median) + near_median0 = np.sum(np.abs(rho0 - rho_median0) < 0.2 * rho_median0) + near_median_f = np.sum(np.abs(rho_f - rho_median0) < 0.2 * rho_median0) + # There should be MORE particles near the median density after mixing + assert near_median_f > near_median0, "No evidence of RT mixing" diff --git a/test/sbcluster/Config.sh b/test/sbcluster/Config.sh new file mode 100644 index 000000000..6191d5340 --- /dev/null +++ b/test/sbcluster/Config.sh @@ -0,0 +1,7 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +PMGRID=32 +PM_HIRES_REGION_CLIPPING=1000 +ADAPTIVE_GRAVSOFT_FORGAS +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/sbcluster/sbcluster.params b/test/sbcluster/sbcluster.params new file mode 100644 index 000000000..535477484 --- /dev/null +++ b/test/sbcluster/sbcluster.params @@ -0,0 +1,48 @@ +% Santa Barbara cluster comparison test (Hopkins 2015) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% PMGRID=32 +% PM_HIRES_REGION_CLIPPING=1000 +% ADAPTIVE_GRAVSOFT_FORGAS +% +InitCondFile sbcluster_ics +OutputDir output +PartAllocFactor 5 +TimeBegin 0.02 +TimeMax 1 +ComovingIntegrationOn 1 +BoxSize 1 +Omega_Matter 1 +Omega_Lambda 0 +Omega_Baryon 0.1 +HubbleParam 0.5 +UnitLength_in_cm 3.085678e+24 +UnitMass_in_g 1.989e+43 +UnitVelocity_in_cm_per_s 100000 +SofteningGas 0.04 +Softening_Type1 0.04 +Softening_Type2 0 +Softening_Type3 0 +Softening_Type4 0 +Softening_Type5 0 +SofteningGasMaxPhys 0.02 +Softening_Type1_MaxPhysLimit 0.02 +Softening_Type2_MaxPhysLimit 0 +Softening_Type3_MaxPhysLimit 0 +Softening_Type4_MaxPhysLimit 0 +Softening_Type5_MaxPhysLimit 0 +TimeOfFirstSnapshot 0.02 +ScaleFac_Between_Snapshots 1.5 +MaxSizeTimestep 0.01 +DesNumNgb 32 +MaxNumNgbDeviation 0.1 +ErrTolIntAccuracy 0.01 +CourantFac 0.2 +MaxRMSDisplacementFac 0.1 +ErrTolForceAcc 0.001 +ErrTolTheta 0.7 +TimeBetStatistics 0.5 +MaxMemSize 3000 +ResubmitOn 0 +ResubmitCommand none diff --git a/test/sbcluster/test_sbcluster.py b/test/sbcluster/test_sbcluster.py new file mode 100644 index 000000000..25129382b --- /dev/null +++ b/test/sbcluster/test_sbcluster.py @@ -0,0 +1,86 @@ +"""Santa Barbara cluster comparison test (Hopkins 2015) + +Cosmological cluster formation test. A dark matter halo collapses and +gas shock-heats to form a hot cluster. Checks that a hot, dense cluster +core forms and that baryon fraction is reasonable. +""" + +import pytest +import numpy as np +from matplotlib import pyplot as plt +import h5py +import glob +from gizmo.test import build_and_run_test, default_mpi_ranks, clean_test_outputs, assert_final_time, default_omp_threads + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_sbcluster(num_mpi_ranks, num_omp_threads): + test_name = "sbcluster" + clean_test_outputs(test_name) + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + snaps = sorted(glob.glob(outputdir + "/snapshot_*.hdf5")) + if len(snaps) < 2: + raise RuntimeError("GIZMO did not run successfully.") + assert_final_time(snaps[-1], test_name) + + # Load final snapshot + with h5py.File(snaps[-1], "r") as F: + gas_pos = F["PartType0/Coordinates"][:] + gas_rho = F["PartType0/Density"][:] + gas_u = F["PartType0/InternalEnergy"][:] + gas_mass = F["PartType0/Masses"][:] + dm_pos = F["PartType1/Coordinates"][:] + dm_mass = F["PartType1/Masses"][:] + boxsize = F["Header"].attrs["BoxSize"] + + # Find the cluster center (densest gas region) + center = gas_pos[np.argmax(gas_rho)] + + # Compute radii from cluster center + dx = gas_pos - center + dx -= boxsize * np.round(dx / boxsize) # periodic wrapping + r_gas = np.sqrt(np.sum(dx**2, axis=1)) + + dx_dm = dm_pos - center + dx_dm -= boxsize * np.round(dx_dm / boxsize) + r_dm = np.sqrt(np.sum(dx_dm**2, axis=1)) + + # Plot radial density and temperature profiles + rbins = np.logspace(-2.5, -0.5, 20) + rc = np.sqrt(rbins[:-1] * rbins[1:]) + + from scipy.stats import binned_statistic + rho_prof = binned_statistic(r_gas, gas_rho, "median", rbins)[0] + u_prof = binned_statistic(r_gas, gas_u, "median", rbins)[0] + + fig, axes = plt.subplots(1, 2, figsize=(10, 4)) + axes[0].loglog(rc, rho_prof, "o-") + axes[0].set_xlabel("r") + axes[0].set_ylabel("Density") + axes[0].set_title("Gas Density Profile") + axes[1].loglog(rc, u_prof, "o-") + axes[1].set_xlabel("r") + axes[1].set_ylabel("Internal Energy") + axes[1].set_title("Gas Temperature Profile") + plt.tight_layout() + plt.savefig(f"test/{test_name}/profiles.png", dpi=150) + plt.close() + + # The cluster should have formed: central density should be much higher than mean + rho_mean = gas_mass.sum() / boxsize**3 + overdensity = gas_rho.max() / rho_mean + assert overdensity > 100, ( + f"Cluster did not form: max overdensity = {overdensity:.1f}" + ) + + # Gas in the core should be hot (shock-heated) + core = r_gas < 0.05 + if np.any(core): + u_core = np.median(gas_u[core]) + u_mean = np.median(gas_u) + assert u_core > 5 * u_mean, ( + f"Core gas not hot enough: u_core/u_mean = {u_core/u_mean:.1f}" + ) diff --git a/test/sedov/Config.sh b/test/sedov/Config.sh new file mode 100644 index 000000000..4c2141507 --- /dev/null +++ b/test/sedov/Config.sh @@ -0,0 +1,6 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +SELFGRAVITY_OFF +EOS_GAMMA=(5.0/3.0) +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/sedov/sedov.params b/test/sedov/sedov.params new file mode 100644 index 000000000..ffc60e06a --- /dev/null +++ b/test/sedov/sedov.params @@ -0,0 +1,29 @@ +% Sedov-Taylor blast wave test (Hopkins 2015) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% SELFGRAVITY_OFF +% EOS_GAMMA=(5.0/3.0) +% +InitCondFile sedov_ics +OutputDir output +TimeMax 0.03 +BoxSize 6 +TimeBetSnapshot 0.003 +DesNumNgb 32 +MaxNumNgbDeviation 0.1 +MaxMemSize 5000 +UnitLength_in_cm 3.085678e+21 +UnitMass_in_g 1.989e+43 +UnitVelocity_in_cm_per_s 100000 +MinGasTemp 10 +ErrTolIntAccuracy 0.002 +CourantFac 0.05 +MaxRMSDisplacementFac 0.1 +ErrTolForceAcc 0.0015 +TimeBetStatistics 0.001 +MaxSizeTimestep 0.01 +ResubmitOn 0 +ResubmitCommand none +ErrTolTheta 0.7 +TreeDomainUpdateFrequency 0.5 diff --git a/test/sedov/test_sedov.py b/test/sedov/test_sedov.py new file mode 100644 index 000000000..75bad1c67 --- /dev/null +++ b/test/sedov/test_sedov.py @@ -0,0 +1,103 @@ +"""Sedov-Taylor blast wave test (Hopkins 2015) + +Compares radial profiles of the blast wave against the analytic Sedov solution. +The exact solution file has columns: radius, temperature, density, radial_velocity. +""" + +import pytest +import numpy as np +from scipy.interpolate import interp1d +from scipy.stats import binned_statistic +from matplotlib import pyplot as plt +import h5py + +from meshoid import Meshoid +from gizmo.test import ( + build_and_run_test, + default_mpi_ranks, + flush_colorbar, + assert_final_time, + get_final_snapshot, + default_omp_threads, +) + + +def plot_sedov_density_slice(coords, rho, output_dir="."): + """Plot a density slice through the Sedov blast center.""" + box_center = 3.0 + M = Meshoid(coords) + center = np.array([box_center, box_center, box_center]) + rho_slice = M.Slice(np.log10(rho), res=1024, plane="z", center=center, size=4.0, order=1) + fig, ax = plt.subplots(figsize=(6, 6)) + im = ax.imshow(rho_slice.T, origin="lower", cmap="inferno", extent=[-2, 2, -2, 2]) + flush_colorbar(im, ax=ax, label="log10(Density)") + ax.set_xlabel("x") + ax.set_ylabel("y") + ax.set_title("Sedov Blast - Density Slice") + fig.savefig(output_dir + "/Density_2D.png", dpi=150, bbox_inches="tight") + plt.close(fig) + + +@pytest.mark.parametrize( + "num_mpi_ranks,num_omp_threads", + [(default_mpi_ranks(), default_omp_threads())], +) +def test_sedov(num_mpi_ranks, num_omp_threads): + test_name = "sedov" + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + final_snap = get_final_snapshot(test_name) + assert_final_time(final_snap, test_name) + + # Load simulation data + with h5py.File(final_snap, "r") as F: + coords = F["PartType0/Coordinates"][:] + rho_sim = F["PartType0/Density"][:] + vel = F["PartType0/Velocities"][:] + + # Compute radius from box center + box_center = 3.0 # BoxSize/2 + r_sim = np.sqrt(np.sum((coords - box_center) ** 2, axis=1)) + vr_sim = np.sum(vel * (coords - box_center), axis=1) / (r_sim + 1e-30) + + # Load exact solution: radius, temperature, density, radial_velocity + exact = np.loadtxt(f"test/{test_name}/sedov_exact.txt") + r_exact = exact[:, 0] + rho_exact = exact[:, 2] + vr_exact = exact[:, 3] + + # Bin simulation data by radius and compute median + r_bins = np.linspace(0, r_exact.max() * 0.9, 30) + rho_binned = binned_statistic(r_sim, rho_sim, "median", r_bins)[0] + vr_binned = binned_statistic(r_sim, vr_sim, "median", r_bins)[0] + r_centers = 0.5 * (r_bins[:-1] + r_bins[1:]) + + # Interpolate exact solution to bin centers + rho_exact_interp = interp1d(r_exact, rho_exact, bounds_error=False, fill_value="extrapolate")(r_centers) + vr_exact_interp = interp1d(r_exact, vr_exact, bounds_error=False, fill_value="extrapolate")(r_centers) + + plot_sedov_density_slice(coords, rho_sim, output_dir=f"test/{test_name}") + + # Plot comparison + for label, binned, exact_vals in [ + ("Density", rho_binned, rho_exact_interp), + ("RadialVelocity", vr_binned, vr_exact_interp), + ]: + plt.figure() + plt.plot(r_centers, binned, "o", markersize=3, label="GIZMO") + plt.plot(r_centers, exact_vals, "-", color="red", label="Exact") + plt.xlabel("r") + plt.ylabel(label) + plt.legend() + plt.savefig(f"test/{test_name}/{label}.png") + plt.close() + + # Check that the binned density profile roughly matches the exact solution + # Use bins where the exact solution has significant density (post-shock) + good = rho_exact_interp > 0.01 + if np.any(good): + L1_rho = np.nanmean(np.abs(rho_binned[good] - rho_exact_interp[good])) / np.nanmean( + np.abs(rho_exact_interp[good]) + ) + assert L1_rho < 0.3, f"Density profile L1 error {L1_rho:.4f} exceeds tolerance" diff --git a/test/shocktube/Config.sh b/test/shocktube/Config.sh new file mode 100644 index 000000000..86af1d89a --- /dev/null +++ b/test/shocktube/Config.sh @@ -0,0 +1,8 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_SPATIAL_DIMENSION=1 +BOX_PERIODIC +SELFGRAVITY_OFF +EOS_GAMMA=(1.4) +INPUT_IN_DOUBLEPRECISION +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/shocktube/shocktube.params b/test/shocktube/shocktube.params new file mode 100644 index 000000000..dda39e354 --- /dev/null +++ b/test/shocktube/shocktube.params @@ -0,0 +1,25 @@ +% Sod shock tube test (Hopkins 2015) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_SPATIAL_DIMENSION=1 +% BOX_PERIODIC +% SELFGRAVITY_OFF +% EOS_GAMMA=(1.4) +% +InitCondFile shocktube_ics_emass +OutputDir output +TimeMax 5 +BoxSize 80 +TimeBetSnapshot 0.5 +MaxSizeTimestep 0.001 +DesNumNgb 4 +MaxNumNgbDeviation 1e-6 +MaxMemSize 1000 +ErrTolIntAccuracy 0.0025 +CourantFac 0.05 +MaxRMSDisplacementFac 0.125 +TimeBetStatistics 0.5 +ResubmitOn 0 +ResubmitCommand none +ErrTolTheta 0.7 +ErrTolForceAcc 0.001 diff --git a/test/shocktube/test_shocktube.py b/test/shocktube/test_shocktube.py new file mode 100644 index 000000000..043a3f29f --- /dev/null +++ b/test/shocktube/test_shocktube.py @@ -0,0 +1,86 @@ +"""Sod shock tube test (Hopkins 2015) + +Compares the final snapshot against the reference high-resolution PPM solution. +The exact solution file has columns: x, density, pressure, entropy, x_velocity. +""" + +import pytest +import numpy as np +from scipy.interpolate import interp1d +from matplotlib import pyplot as plt +import h5py +from os import chdir +from os.path import isfile +from urllib.request import urlretrieve +from gizmo.test import build_gizmo_for_test, run_test, download_test_files, clean_test_outputs, assert_final_time, default_mpi_ranks, default_omp_threads, get_final_snapshot + + +WEBSITE = "http://www.tapir.caltech.edu/~phopkins/sims/" + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(max_ranks=4),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_shocktube(num_mpi_ranks, num_omp_threads): + test_name = "shocktube" + clean_test_outputs(test_name) + build_gizmo_for_test(test_name, num_omp_threads) + chdir(f"test/{test_name}/") + + # Download ICs (non-standard name) and exact solution + for f in ("shocktube_ics_emass.hdf5", "shocktube_exact.txt"): + if not isfile(f): + urlretrieve(WEBSITE + f, f) + + run_test(test_name, num_mpi_ranks, num_omp_threads) + chdir("../../") + + outputdir = f"test/{test_name}/output" + final_snap = get_final_snapshot(test_name) + assert_final_time(final_snap, test_name) + + # Load simulation data + with h5py.File(final_snap, "r") as F: + x_sim = F["PartType0/Coordinates"][:, 0] + rho_sim = F["PartType0/Density"][:] + vel_sim = F["PartType0/Velocities"][:, 0] + u_sim = F["PartType0/InternalEnergy"][:] + + # Load exact solution: x, density, pressure, entropy, x_velocity + exact = np.loadtxt(f"test/{test_name}/shocktube_exact.txt") + x_exact = exact[:, 0] + rho_exact = exact[:, 1] + vel_exact = exact[:, 4] + P_exact = exact[:, 2] + # Internal energy from pressure: u = P / (rho * (gamma - 1)) + gamma = 1.4 + u_exact = P_exact / (rho_exact * (gamma - 1)) + + # Interpolate exact solution to particle positions + rho_interp = interp1d(x_exact, rho_exact, bounds_error=False, fill_value="extrapolate")(x_sim) + vel_interp = interp1d(x_exact, vel_exact, bounds_error=False, fill_value="extrapolate")(x_sim) + u_interp = interp1d(x_exact, u_exact, bounds_error=False, fill_value="extrapolate")(x_sim) + + # Compute L1 errors + L1_rho = np.mean(np.abs(rho_sim - rho_interp)) / np.mean(np.abs(rho_interp)) + L1_vel = np.mean(np.abs(vel_sim - vel_interp)) / (np.mean(np.abs(vel_interp)) + 1e-10) + L1_u = np.mean(np.abs(u_sim - u_interp)) / np.mean(np.abs(u_interp)) + + # Plot comparison + order = x_sim.argsort() + for label, sim, exact_vals in [ + ("Density", rho_sim, rho_interp), + ("Velocity", vel_sim, vel_interp), + ("InternalEnergy", u_sim, u_interp), + ]: + plt.figure() + plt.plot(x_sim[order], sim[order], ".", markersize=1, label="GIZMO") + plt.plot(x_sim[order], exact_vals[order], "-", color="red", linewidth=0.5, label="Exact") + plt.xlabel("x") + plt.ylabel(label) + plt.legend() + plt.savefig(f"test/{test_name}/{label}.png") + plt.close() + + assert L1_rho < 0.05, f"Density L1 error {L1_rho:.4f} exceeds tolerance" + assert L1_vel < 0.1, f"Velocity L1 error {L1_vel:.4f} exceeds tolerance" + assert L1_u < 0.1, f"Internal energy L1 error {L1_u:.4f} exceeds tolerance" diff --git a/test/shu1977/Config.sh b/test/shu1977/Config.sh new file mode 100644 index 000000000..674ac2868 --- /dev/null +++ b/test/shu1977/Config.sh @@ -0,0 +1,3 @@ +SINGLE_STAR_STARFORGE_DEFAULTS +EOS_GAMMA=1.001 +EOS_ENFORCE_ADIABAT=4e4 diff --git a/test/shu1977/README.md b/test/shu1977/README.md new file mode 100644 index 000000000..0a0fc2ec5 --- /dev/null +++ b/test/shu1977/README.md @@ -0,0 +1,10 @@ +# Shu 1977 test + +This is the Shu 1977 singular isothermal sphere setup with initial density 2x the critical density. The physically-correct behavior is for the central region to undergo runaway collapse into exactly one sink (by symmetry). The test only runs for a short time, just checking that exactly 1 sink does form. + +Compile-time flags used for this setup: +``` +SINGLE_STAR_STARFORGE_DEFAULTS +EOS_ENFORCE_ADIABAT=4e4 +EOS_GAMMA=1.001 +``` diff --git a/test/shu1977/shu1977.params b/test/shu1977/shu1977.params new file mode 100755 index 000000000..1cf3b1c83 --- /dev/null +++ b/test/shu1977/shu1977.params @@ -0,0 +1,293 @@ +%------------------------------------------------------------------------- +%---- This file contains the input parameters needed at run-time for +% simulations. It is based on and closely resembles the GADGET-3 +% parameterfile (format of which and parsing routines written by +% Volker Springel [volker.springel@h-its.org]). It has been updated +% with new naming conventions and additional variables as needed by +% Phil Hopkins [phopkins@caltech.edu] for GIZMO. +%------------------------------------------------------------------------- + +%---- Relevant files (filenames and directories) +InitCondFile shu1977_ics +OutputDir output + +%---- File formats (input and output) +ICFormat 3 % 1=unformatted (gadget) binary, 3=hdf5, 4=cluster +SnapFormat 3 % 1=unformatted (gadget) binary, 3=hdf5 + + +%---- Output parameters +RestartFile restart +SnapshotFileBase snapshot +OutputListOn 0 % =1 to use list in "OutputListFilename" +OutputListFilename output_times.txt % list of times (in code units) for snaps +NumFilesPerSnapshot 1 +NumFilesWrittenInParallel 1 % must be < N_processors & power of 2 + +%---- Output frequency +TimeOfFirstSnapshot 0. % time (code units) of first snapshot +TimeBetSnapshot 1e-6 %7.656264097337446e-06 % time between (if OutputListOn=0), code units +TimeBetStatistics 1e-6 %7.656264097337446e-06 % time between additional statistics (e.g. energy) + +%---- CPU run-time and checkpointing time-limits +TimeLimitCPU 172800 % in seconds +CpuTimeBetRestartFile 7200 % in seconds +ResubmitOn 0 +ResubmitCommand my-scriptfile + +%---- Desired simulation beginning and end times (in code units) for run +TimeBegin 0.0 % Beginning of the simulation +TimeMax 2e-5 %0.0030625056389349784 % End of the simulation + +%---- Maximum and minimum timesteps allowed +MaxSizeTimestep 5e-6 %1.5312528194674893e-05 % in code units, set for your problem +MinSizeTimestep 1.0e-15 % set this very low, or get the wrong answer + + +%---- System of units +UnitLength_in_cm 3.085678e18 % 1.0pc +UnitMass_in_g 1.989e33 % solar mass +UnitVelocity_in_cm_per_s 1.0e2 % 1 m/sec +UnitMagneticField_in_gauss 1.0e4 % 1 Tesla +GravityConstantInternal %4301 %31397 %2042 %2867 %3800.5799256505575 % calculated by code if =0 + +%---- Cosmological parameters +ComovingIntegrationOn 0 % is it cosmological? (yes=1, no=0) +BoxSize 4.34 % in code units +Omega0 0. % =0 for non-cosmological +OmegaLambda 0. % =0 for non-cosmological +OmegaBaryon 0. % =0 for non-cosmological +HubbleParam 1. % little 'h'; =1 for non-cosmological runs + + +%----- Memory allocation +MaxMemSize 3500 % sets maximum MPI process memory use in MByte +PartAllocFactor 5.0 % memory load allowed for better cpu balance +BufferSize 100 % in MByte + +%---- Rebuild domains when >this fraction of particles active +TreeDomainUpdateFrequency 0.005 % 0.0005-0.05, dept on core+particle number + + +%---- (Optional) Initial hydro temperature & temperature floor (in Kelvin) +InitGasTemp 10 % set by IC file if =0 +MinGasTemp 10 % don't set <10 in explicit feedback runs, otherwise 0 + +%---- Hydro reconstruction (kernel) parameters +DesNumNgb 32 % domain-reconstruction kernel number: 32 standard, 60-114 for quintic +MaxHsml 1.0e10 % minimum gas kernel length (some very large value to prevent errors) +MinGasHsmlFractional 0 % minimum kernel length relative to gas force softening (<= 1) + + +%---- Gravitational softening lengths +%----- Softening lengths per particle type. If ADAPTIVE_GRAVSOFT is set, these +%-------- are the minimum softening allowed for each type ------- +%-------- (units are co-moving for cosmological integrations) +SofteningGas 1e-10 % gas (particle type=0) (in co-moving code units) +SofteningHalo 0.020 % dark matter/collisionless particles (type=1) +SofteningDisk 0.150 % collisionless particles (type=2) +SofteningBulge 3.66e-5 % collisionless particles (type=3) +SofteningStars 3.66e-5 % stars spawned from gas (type=4) +SofteningBndry 3.66e-6 % black holes (if active), or collisionless (type=5) + +%---- if these are set in cosmo runs, SofteningX switches from comoving to physical +%------- units when the comoving value exceeds the choice here +%------- (these are ignored, and *only* the above are used, for non-cosmo runs) +SofteningGasMaxPhys 0.0005 % e.g. switch to 0.5pc physical below z=1 +SofteningHaloMaxPhys 0.010 +SofteningDiskMaxPhys 0.075 +SofteningBulgeMaxPhys 0.250 +SofteningStarsMaxPhys 0.0005 +SofteningBndryMaxPhys 0.0005 +%----- parameters for adaptive gravitational softening +AGS_DesNumNgb 32 % neighbor number for calculating adaptive gravsoft + + + + +%------------------------------------------------------------------------- +%------------------------------------------------------------------------- +%---------- Physics Modules ---------------------------------------------- +%------------------------------------------------------------------------- +%------------------------------------------------------------------------- + + +%------------------------------------------------------------ +%------------------ Additional Fluid Physics ---------------- +%------------------------------------------------------------ + +%---- Magneto-Hydrodynamics Parameters (MAGNETIC on) +%----- Initial B-Field Strengths (if MHD_B_SET_IN_PARAMS on, otherwise read from IC file) +BiniX 1.0e-8 % initial B_x, in code units +BiniY 1.0e-8 % initial B_y, in code units +BiniZ 1.0e-8 % initial B_z, in code units + +%---- Thermal Conduction (CONDUCTION on) +%----- set coefficient kappa [code units] or, if CONDUCTION_SPITZER on, multiplies value +ConductionCoeff 1.0 % set/multiply conduction coefficient + +%---- Navier-Stokes Viscosity (VISCOSITY on) +%--- set coefficients eta,zeta [code units] or, if VISCOSITY_BRAGINSKII on, multiplies value +ShearViscosityCoeff 1.0 % set/multiply shear viscosity coefficient +BulkViscosityCoeff 1.0 % set/multiply bulk viscosity coefficient + +%---- Turbulent Diffusion Master Switch (TURB_DIFFUSION on) +TurbDiffusionCoefficient 1.0 % Normalizes diffusion rates relative to Smagorinsky-Lilly theory [best calibration] (~0.5-2) + +%---- Cosmic Ray + Gas Fluids (COSMIC_RAYS on) +CosmicRayDiffusionCoeff 1.0 % multiplies anisotropic diffusion/streaming coefficients + +%---- Dust-Gas Mixtures (GRAIN_FLUID on) +Grain_Internal_Density 1.0 % internal/material density of grains in g/cm^3 +Grain_Size_Min 1.e-6 % minimum grain size in cm +Grain_Size_Max 1.e-4 % maximum grain size in cm +Grain_Size_Spectrum_Powerlaw 0.5 % power-law distribution of grain sizes (dm/dlnr~r^x) + + +%------------------------------------------------------------------------- +%------------------ Star, Black Hole, and Galaxy Formation --------------- +%------------------------------------------------------------------------- + + +%---- Star Formation parameters (GALSF on) +CritPhysDensity 1461452800000.0 % critical physical density for star formation (cm^(-3)) +SfEffPerFreeFall 1.0 % SFR/(Mgas/tfreefall) for gas which meets SF criteria + + +%---- sub-grid (Springel+Hernquist/GADGET/AREPO) "effective equation of state" +%------- star formation+feedback model (GALSF_EFFECTIVE_EQS on) +MaxSfrTimescale 4.0 % code units (SF timescale at 2-phase threshold) +TempSupernova 3.0e8 % in Kelvin (temp of hot gas in 2-phase model) +TempClouds 1000.0 % in Kelvin (temp of cold gas in 2-phase model) +FactorSN 0.1 % SNe coupling frac (frac of egy retained in hot) +FactorEVP 3000.0 % controls Kennicutt normalization +FactorForSofterEQS 1.0 % interpolate between 'stiff' and isothermal EOS +%------- the sub-grid "decoupled winds" model (GALSF_SUBGRID_WINDS on) +WindEfficiency 2.0 % mass-loading (Mdot_wind = SFR * WindEfficiency) +WindEnergyFraction 0.06 % fraction of SNe energy in winds (sets velocity) +WindFreeTravelMaxTime 0.1 % 'free-stream time' in units of t_Hubble(z) +WindFreeTravelDensFac 0.1 % 'free-stream' until density < this * CritPhysDensity +%------- alternative winds (set GALSF_SUBGRID_WIND_SCALING == 1 or 2) +%------- (scaling with local dark matter properties, as Dave/Oppenheimer/Mannucci/Illustris) +VariableWindVelFactor 1.0 % wind velocity relative to estimated halo v_escape +VariableWindSpecMomentum 5000. % wind momentum per unit stellar mass (code velocity units) + + + +%-------------- FIRE (PFH) explicit star formation & feedback model (FIRE on) +%--- initial metallicity of gas & stars in simulation +InitMetallicity 1.0 % initial gas+stellar metallicity (in solar) +InitStellarAge 0.0 % initial mean age (in Gyr; for stars in sim ICs) +%--- local radiation-pressure driven winds (GALSF_FB_FIRE_RT_LOCALRP) +WindMomentumLoading 1.0 % fraction of photon momentum to couple +%--- SneII Heating Model (GALSF_FB_MECHANICAL) +SNeIIEnergyFrac 1.0 % fraction of mechanical energy to couple +%--- HII region photo-heating model (GALSF_FB_FIRE_RT_HIIHEATING) +HIIRegion_fLum_Coupled 1.0 % fraction of ionizing photons allowed to see gas +%--- long-range radiation pressure acceleration (GALSF_FB_FIRE_RT_LONGRANGE) +PhotonMomentum_Coupled_Fraction 1.0 % fraction of L to allow incident +PhotonMomentum_fUV 0.0 % incident SED f(L) in UV (minimum scattering) +PhotonMomentum_fOPT 0.0 % incident SED f(L) in optical/near-IR +%--- gas return/recycling +GasReturnFraction 1.0 % fraction of gas mass returned (relative to ssp) +GasReturnEnergy 1.0 % fraction of returned gas energy+momentum (relative to ssp) +%--- cosmic rays (COSMIC_RAYS) +CosmicRay_SNeFraction 0.1 % fraction of SNe ejecta kinetic energy into cosmic rays (~10%) + + +%-------------- Black Hole accretion & formation (BLACK_HOLES on) +%--- formation/seeding +SeedBlackHoleMass 7.8125e-07 % initial mass (on-the-fly or single galaxy) +SeedAlphaDiskMass 0.0 % initial mass in the alpha disk (BH_ALPHADISK_ACCRETION) +SeedBlackHoleMinRedshift 2.0 % minimum redshift where new BH particles are seeded (lower-z ceases seeding) +SeedBlackHoleMassSigma 0.5 % lognormal standard deviation (in dex) in initial BH seed masses +%----- (specific options for on-the-fly friends-of-friends based BH seeding: FOF on) +MinFoFMassForNewSeed 10. % minimum mass of FOF group (stars or DM) to get seed, in code units +TimeBetOnTheFlyFoF 1.01 % time (in code units, e.g. scale-factor) between on-the-fly FOF searches +%--- accretion +BlackHoleAccretionFactor 1.0 % multiplier for mdot (relative to model) +BlackHoleEddingtonFactor 1e100 % fraction of eddington to cap (can be >1) +BlackHoleNgbFactor 1.0 % multiplier for kernel neighbors for BH +BlackHoleMaxAccretionRadius 4.34 % max radius for BH neighbor search/accretion (code units) +BlackHoleRadiativeEfficiency 5e-7 % radiative efficiency (for accretion and feedback) +%--- feedback +BlackHoleFeedbackFactor 1.0 % generic feedback strength multiplier +BH_FluxMomentumFactor 0.0 % multiply radiation pressure (BH_PHOTONMOMENTUM), set it to zero to avoid launching gas from rad. pressure +BAL_f_accretion 0.7 % fraction of gas swallowed by BH (BH_WIND options) +BAL_v_outflow 100000. % velocity (km/s) of BAL outflow (BH_WIND options) +BAL_internal_temperature 10. % internal temperature (K) of BAL outflow (BH_WIND_SPAWN) +BAL_wind_particle_mass 7.8125e-05 % mass of 'virtual wind particles' in code units (BH_WIND_SPAWN) + + +%------------------------------------------------------------------------- +%------------------ Grackle cooling module ----------------- +%------------------------------------------------------------------------- + +%-------------- Grackle UVB file (COOL_GRACKLE on) +GrackleDataFile CloudyData_UVB=HM2012.h5 + + + +%------------------------------------------------------------------------- +%------------------ Driven Turbulence (Large-Eddy boxes) ----------------- +%------------------------------------------------------------------------- + +%-------------- Turbulent stirring parameters (TURB_DRIVING on) +ST_decay 3.4980225402157403e+99 % decay time for driving-mode phase correlations +ST_energy 0.0 % energy of driving-scale modes: sets norm of turb +ST_DtFreq 3.4980225402157406e+98 % time interval for driving updates (set by hand) +ST_Kmin 8.98 % minimum driving-k: should be >=2.*M_PI/All.BoxSize +ST_Kmax 17.97 % maximum driving-k: set to couple times Kmin or more if cascade desired +ST_SolWeight 1.0 % fractional wt of solenoidal modes (wt*curl + (1-wt)*div) +ST_AmplFac 1.0 % multiplies turb amplitudes +ST_SpectForm 3 % driving pwr-spec: 0=Ek~const; 1=sharp-peak at kc; 2=Ek~k^(-5/3); 3=Ek~k^-2 +ST_Seed 42 % random number seed for modes (so you can reproduce it) +IsoSoundSpeed 200. % initializes gas sound speed in box to this value +TimeBetTurbSpectrum 0.5 % time (code units) between evaluations of turb pwrspec + + +%------------------------------------------------------------------------------------------------- +%------------------ Non-Standard Dark Matter, Dark Energy, Gravity, or Expansion ----------------- +%------------------------------------------------------------------------------------------------- + +%-------------- Parameters for non-standard or time-dependent Gravity/Dark Energy/Expansion (GR_TABULATED_COSMOLOGY on) +DarkEnergyConstantW -1 % time-independent DE parameter w, used only if no table +TabulatedCosmologyFile CosmoTbl % table with cosmological parameters + + +%------------------------------------------------------------- +%------------------ Solid bodies and Impacts ----------------- +%------------------------------------------------------------- + +%-------------- Parameters for custom Tillotson equation-of-state (EOS_TILLOTSON on) +%--- In ICs, set "CompositionType": 0=custom,1=granite,2=basalt,3=iron,4=ice,5=olivine/dunite,6=water; +%--- their EOS parameters will be set accordingly. If CompositionType=0, the custom parameters below +%--- are used, matched to the definitions in Table A1 of Reinhardt+Stadel 2017,MNRAS,467,4252 (below is iron) +Tillotson_EOS_params_a 0.5 % a parameter [dimensionless] +Tillotson_EOS_params_b 1.5 % b parameter [dimensionless] +Tillotson_EOS_params_u_0 9.5e10 % u_0 parameter in [erg/g] +Tillotson_EOS_params_rho_0 7.86 % rho_0 parameter in [g/cm^3] +Tillotson_EOS_params_A 1.28e12 % A parameter in [erg/cm^3] +Tillotson_EOS_params_B 1.05e12 % B parameter in [erg/cm^3] +Tillotson_EOS_params_u_s 1.42e10 % u_s parameter in [erg/g] +Tillotson_EOS_params_u_s_prime 8.45e10 % u_s^prime parameter in [erg/g] +Tillotson_EOS_params_alpha 5.0 % alpha parameter [dimensionless] +Tillotson_EOS_params_beta 5.0 % beta parameter [dimensionless] +Tillotson_EOS_params_mu 7.75e11 % elastic shear modulus in [erg/cm^3] (used if EOS_ELASTIC is on) +Tillotson_EOS_params_Y0 8.5e10 % hugoniot elastic limit in [erg/cm^3] (used if EOS_ELASTIC is on) + + + + +%--- Developer-Mode Parameters (usually hard-coded, but set manually if DEVELOPER_MODE is on) -------- +ErrTolTheta 0.21 % 0.7=standard +ErrTolForceAcc 0.0025 % 0.0025=standard +ErrTolIntAccuracy 0.01 % <0.02 +CourantFac 0.2 % <0.20 +MaxRMSDisplacementFac 0.125 % <0.25 +MaxNumNgbDeviation 0.05 % < 0.5 * contrast0, ( + f"Density contrast degraded too much: {contrast0:.2f} -> {contrast_f:.2f}" + ) + + # Mass conservation + mass_err = abs(mass_f.sum() - mass0.sum()) / mass0.sum() + assert mass_err < 1e-3, f"Mass not conserved: relative error {mass_err:.6f}" diff --git a/test/toth/Config.sh b/test/toth/Config.sh new file mode 100644 index 000000000..9f71a1f7b --- /dev/null +++ b/test/toth/Config.sh @@ -0,0 +1,11 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +BOX_LONG_X=16 +BOX_LONG_Y=1 +BOX_LONG_Z=1 +BOX_SPATIAL_DIMENSION=2 +EOS_GAMMA=(5.0/3.0) +MAGNETIC +SELFGRAVITY_OFF +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/toth/test_toth.py b/test/toth/test_toth.py new file mode 100644 index 000000000..c1d2eb72a --- /dev/null +++ b/test/toth/test_toth.py @@ -0,0 +1,49 @@ +"""Toth MHD shock tube test (Hopkins & Raives 2016) + +MHD shock tube problem from Toth (2000). Since there is no provided exact +solution file, this test verifies that the simulation runs to completion and +produces physically reasonable output. +""" + +import pytest +import numpy as np +from matplotlib import pyplot as plt +import h5py + +from gizmo.test import build_and_run_test, assert_final_time, default_mpi_ranks, default_omp_threads, get_final_snapshot + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_toth(num_mpi_ranks, num_omp_threads): + test_name = "toth" + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + final_snap = get_final_snapshot(test_name) + assert_final_time(final_snap, test_name) + + # Load simulation data + with h5py.File(final_snap, "r") as F: + x_sim = F["PartType0/Coordinates"][:, 0] + rho_sim = F["PartType0/Density"][:] + vel_sim = F["PartType0/Velocities"][:, 0] + B_sim = F["PartType0/MagneticField"][:] + + # Plot profiles + order = x_sim.argsort() + for label, data in [ + ("Density", rho_sim), + ("Velocity", vel_sim), + ("By", B_sim[:, 1]), + ]: + plt.figure() + plt.plot(x_sim[order], data[order], ".", markersize=1) + plt.xlabel("x") + plt.ylabel(label) + plt.savefig(f"test/{test_name}/{label}.png") + plt.close() + + # Basic sanity checks + assert np.all(np.isfinite(rho_sim)), "Non-finite density values found" + assert np.all(rho_sim > 0), "Negative density values found" + assert np.all(np.isfinite(B_sim)), "Non-finite magnetic field values found" diff --git a/test/toth/toth.params b/test/toth/toth.params new file mode 100644 index 000000000..e5921815e --- /dev/null +++ b/test/toth/toth.params @@ -0,0 +1,30 @@ +% Toth MHD shock tube test (Hopkins & Raives 2016) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% BOX_LONG_X=16 +% BOX_LONG_Y=1 +% BOX_LONG_Z=1 +% BOX_SPATIAL_DIMENSION=2 +% EOS_GAMMA=(5.0/3.0) +% MAGNETIC +% SELFGRAVITY_OFF +% +InitCondFile toth_ics +OutputDir output +TimeMax 0.08 +BoxSize 0.25 +TimeBetSnapshot 0.04 +DesNumNgb 20 +MaxNumNgbDeviation 0.1 +MaxMemSize 2000 +ErrTolIntAccuracy 0.01 +CourantFac 0.2 +MaxRMSDisplacementFac 0.1 +DivBcleaningParabolicSigma 1.0 +DivBcleaningHyperbolicSigma 1.0 +ResubmitOn 0 +ResubmitCommand none +ErrTolTheta 0.7 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 diff --git a/test/unit/test_harness.h b/test/unit/test_harness.h new file mode 100644 index 000000000..5bae8c61e --- /dev/null +++ b/test/unit/test_harness.h @@ -0,0 +1,86 @@ +#pragma once +// Minimal C++ unit test harness. No external dependencies. +// +// Usage: +// #include "test_harness.h" +// TEST_CASE("descriptive name") { +// CHECK(1 + 1 == 2); +// CHECK_CLOSE(3.14, 3.14159, 0.01); +// } +// TEST_MAIN() // expands to main(), runs all registered tests +// +#include +#include +#include +#include +#include + +struct TestCase { + const char* name; + std::function func; +}; + +inline std::vector& test_registry() { + static std::vector cases; + return cases; +} + +struct TestRegistrar { + TestRegistrar(const char* name, std::function func) { + test_registry().push_back({name, std::move(func)}); + } +}; + +inline int& check_fail_count() { static int n = 0; return n; } +inline int& check_pass_count() { static int n = 0; return n; } + +#define TEST_PASTE_(a, b) a##b +#define TEST_PASTE(a, b) TEST_PASTE_(a, b) +#define TEST_CASE_IMPL(id, name) \ + static void TEST_PASTE(test_func_, id)(); \ + static TestRegistrar TEST_PASTE(test_reg_, id)(name, TEST_PASTE(test_func_, id)); \ + static void TEST_PASTE(test_func_, id)() +#define TEST_CASE(name) TEST_CASE_IMPL(__COUNTER__, name) + +#define CHECK(expr) do { \ + if (!(expr)) { \ + std::fprintf(stderr, " FAIL: %s:%d: %s\n", __FILE__, __LINE__, #expr); \ + check_fail_count()++; \ + } else { \ + check_pass_count()++; \ + } \ +} while(0) + +#define CHECK_CLOSE(a, b, tol) do { \ + double _a = (a), _b = (b), _t = (tol); \ + if (std::fabs(_a - _b) > _t) { \ + std::fprintf(stderr, " FAIL: %s:%d: %s ~= %s (%.15g != %.15g, tol=%.3g)\n", \ + __FILE__, __LINE__, #a, #b, _a, _b, _t); \ + check_fail_count()++; \ + } else { \ + check_pass_count()++; \ + } \ +} while(0) + +#define TEST_MAIN() \ +int main() { \ + int total_failures = 0; \ + for (auto& tc : test_registry()) { \ + check_fail_count() = 0; \ + check_pass_count() = 0; \ + tc.func(); \ + int f = check_fail_count(), p = check_pass_count(); \ + if (f > 0) { \ + std::fprintf(stderr, "FAIL: %s (%d/%d checks passed)\n", tc.name, p, p+f); \ + total_failures += f; \ + } else { \ + std::fprintf(stdout, " ok: %s (%d checks)\n", tc.name, p); \ + } \ + } \ + if (total_failures > 0) { \ + std::fprintf(stderr, "\n%d check(s) FAILED\n", total_failures); \ + return 1; \ + } \ + std::fprintf(stdout, "\nAll %zu test(s) passed.\n", test_registry().size()); \ + return 0; \ +} diff --git a/test/unit/test_math_types.cc b/test/unit/test_math_types.cc new file mode 100644 index 000000000..f6483045f --- /dev/null +++ b/test/unit/test_math_types.cc @@ -0,0 +1,517 @@ +// Unit tests for Vec3, Mat3, and SymmetricTensor2. +#include "test_harness.h" +#include "../../math_types/vec3.h" +#include "../../math_types/mat3.h" +#include "../../math_types/symmetric_tensor2.h" + +static constexpr double EPS = 1e-14; + +// ============================================================ +// Vec3 +// ============================================================ + +TEST_CASE("Vec3: brace init and element access") { + Vec3 v{1.0, 2.0, 3.0}; + CHECK_CLOSE(v[0], 1.0, EPS); + CHECK_CLOSE(v[1], 2.0, EPS); + CHECK_CLOSE(v[2], 3.0, EPS); +} + +TEST_CASE("Vec3: data_ptr") { + Vec3 v{4.0, 5.0, 6.0}; + double* p = v.data_ptr(); + CHECK(p == &v[0]); + CHECK_CLOSE(p[0], 4.0, EPS); + CHECK_CLOSE(p[1], 5.0, EPS); + CHECK_CLOSE(p[2], 6.0, EPS); +} + +TEST_CASE("Vec3: begin/end iteration") { + Vec3 v{1.0, 2.0, 3.0}; + double sum = 0; + for (double x : v) sum += x; + CHECK_CLOSE(sum, 6.0, EPS); +} + +TEST_CASE("Vec3: operator+= -= *= /=") { + Vec3 a{1.0, 2.0, 3.0}; + Vec3 b{4.0, 5.0, 6.0}; + + a += b; + CHECK_CLOSE(a[0], 5.0, EPS); CHECK_CLOSE(a[1], 7.0, EPS); CHECK_CLOSE(a[2], 9.0, EPS); + + a -= b; + CHECK_CLOSE(a[0], 1.0, EPS); CHECK_CLOSE(a[1], 2.0, EPS); CHECK_CLOSE(a[2], 3.0, EPS); + + a *= 2.0; + CHECK_CLOSE(a[0], 2.0, EPS); CHECK_CLOSE(a[1], 4.0, EPS); CHECK_CLOSE(a[2], 6.0, EPS); + + a /= 2.0; + CHECK_CLOSE(a[0], 1.0, EPS); CHECK_CLOSE(a[1], 2.0, EPS); CHECK_CLOSE(a[2], 3.0, EPS); +} + +TEST_CASE("Vec3: binary + - operators") { + Vec3 a{1.0, 2.0, 3.0}, b{10.0, 20.0, 30.0}; + Vec3 c = a + b; + CHECK_CLOSE(c[0], 11.0, EPS); CHECK_CLOSE(c[1], 22.0, EPS); CHECK_CLOSE(c[2], 33.0, EPS); + Vec3 d = b - a; + CHECK_CLOSE(d[0], 9.0, EPS); CHECK_CLOSE(d[1], 18.0, EPS); CHECK_CLOSE(d[2], 27.0, EPS); +} + +TEST_CASE("Vec3: unary negation") { + Vec3 a{1.0, -2.0, 3.0}; + Vec3 b = -a; + CHECK_CLOSE(b[0], -1.0, EPS); CHECK_CLOSE(b[1], 2.0, EPS); CHECK_CLOSE(b[2], -3.0, EPS); +} + +TEST_CASE("Vec3: scalar * and / (both orderings)") { + Vec3 v{2.0, 4.0, 6.0}; + Vec3 a = 3.0 * v; + Vec3 b = v * 3.0; + CHECK_CLOSE(a[0], 6.0, EPS); CHECK_CLOSE(a[1], 12.0, EPS); CHECK_CLOSE(a[2], 18.0, EPS); + CHECK_CLOSE(b[0], 6.0, EPS); CHECK_CLOSE(b[1], 12.0, EPS); CHECK_CLOSE(b[2], 18.0, EPS); + Vec3 c = v / 2.0; + CHECK_CLOSE(c[0], 1.0, EPS); CHECK_CLOSE(c[1], 2.0, EPS); CHECK_CLOSE(c[2], 3.0, EPS); +} + +TEST_CASE("Vec3: norm and norm_sq") { + Vec3 v{3.0, 4.0, 0.0}; + CHECK_CLOSE(v.norm_sq(), 25.0, EPS); + CHECK_CLOSE(v.norm(), 5.0, EPS); + + Vec3 zero{0.0, 0.0, 0.0}; + CHECK_CLOSE(zero.norm(), 0.0, EPS); +} + +TEST_CASE("Vec3: dot product") { + Vec3 a{1.0, 2.0, 3.0}, b{4.0, -5.0, 6.0}; + CHECK_CLOSE(dot(a, b), 1*4 + 2*(-5) + 3*6, EPS); // 4 - 10 + 18 = 12 +} + +TEST_CASE("Vec3: cross product") { + Vec3 x{1,0,0}, y{0,1,0}, z{0,0,1}; + Vec3 c = cross(x, y); + CHECK_CLOSE(c[0], 0.0, EPS); CHECK_CLOSE(c[1], 0.0, EPS); CHECK_CLOSE(c[2], 1.0, EPS); + c = cross(y, z); + CHECK_CLOSE(c[0], 1.0, EPS); CHECK_CLOSE(c[1], 0.0, EPS); CHECK_CLOSE(c[2], 0.0, EPS); + c = cross(z, x); + CHECK_CLOSE(c[0], 0.0, EPS); CHECK_CLOSE(c[1], 1.0, EPS); CHECK_CLOSE(c[2], 0.0, EPS); + // cross product is anti-symmetric + Vec3 a{1,2,3}, b{4,5,6}; + Vec3 ab = cross(a, b), ba = cross(b, a); + CHECK_CLOSE(ab[0], -ba[0], EPS); CHECK_CLOSE(ab[1], -ba[1], EPS); CHECK_CLOSE(ab[2], -ba[2], EPS); + // a x a = 0 + Vec3 aa = cross(a, a); + CHECK_CLOSE(aa[0], 0.0, EPS); CHECK_CLOSE(aa[1], 0.0, EPS); CHECK_CLOSE(aa[2], 0.0, EPS); +} + +TEST_CASE("Vec3: sizeof layout") { + CHECK(sizeof(Vec3) == 3 * sizeof(double)); + CHECK(sizeof(Vec3) == 3 * sizeof(float)); +} + +// ============================================================ +// Mat3 +// ============================================================ + +TEST_CASE("Mat3: brace init and element access") { + Mat3 m{{{1,2,3},{4,5,6},{7,8,9}}}; + CHECK_CLOSE(m[0][0], 1.0, EPS); CHECK_CLOSE(m[0][1], 2.0, EPS); CHECK_CLOSE(m[0][2], 3.0, EPS); + CHECK_CLOSE(m[1][0], 4.0, EPS); CHECK_CLOSE(m[1][1], 5.0, EPS); CHECK_CLOSE(m[1][2], 6.0, EPS); + CHECK_CLOSE(m[2][0], 7.0, EPS); CHECK_CLOSE(m[2][1], 8.0, EPS); CHECK_CLOSE(m[2][2], 9.0, EPS); +} + +TEST_CASE("Mat3: trace") { + Mat3 m{{{1,2,3},{4,5,6},{7,8,9}}}; + CHECK_CLOSE(m.trace(), 15.0, EPS); // 1 + 5 + 9 +} + +TEST_CASE("Mat3: frobenius_norm_sq and frobenius_norm") { + Mat3 m{{{1,0,0},{0,0,0},{0,0,0}}}; + CHECK_CLOSE(m.frobenius_norm_sq(), 1.0, EPS); + CHECK_CLOSE(m.frobenius_norm(), 1.0, EPS); + + // identity + Mat3 I{{{1,0,0},{0,1,0},{0,0,1}}}; + CHECK_CLOSE(I.frobenius_norm_sq(), 3.0, EPS); +} + +TEST_CASE("Mat3: matvec") { + Mat3 I{{{1,0,0},{0,1,0},{0,0,1}}}; + Vec3 v{3,4,5}; + Vec3 r = I.matvec(v); + CHECK_CLOSE(r[0], 3.0, EPS); CHECK_CLOSE(r[1], 4.0, EPS); CHECK_CLOSE(r[2], 5.0, EPS); + + // non-trivial + Mat3 m{{{1,2,3},{4,5,6},{7,8,9}}}; + Vec3 u{1,0,0}; + r = m.matvec(u); + CHECK_CLOSE(r[0], 1.0, EPS); CHECK_CLOSE(r[1], 4.0, EPS); CHECK_CLOSE(r[2], 7.0, EPS); + + r = m.matvec(v); + CHECK_CLOSE(r[0], 1*3+2*4+3*5, EPS); // 26 + CHECK_CLOSE(r[1], 4*3+5*4+6*5, EPS); // 62 + CHECK_CLOSE(r[2], 7*3+8*4+9*5, EPS); // 98 +} + +TEST_CASE("Mat3: Tmatvec (transpose-multiply)") { + Mat3 m{{{1,2,3},{4,5,6},{7,8,9}}}; + Vec3 v{1,1,1}; + // M^T * v: column sums + Vec3 r = m.Tmatvec(v); + CHECK_CLOSE(r[0], 1+4+7, EPS); // 12 + CHECK_CLOSE(r[1], 2+5+8, EPS); // 15 + CHECK_CLOSE(r[2], 3+6+9, EPS); // 18 + + // For symmetric matrix, matvec == Tmatvec + Mat3 s{{{1,2,3},{2,5,6},{3,6,9}}}; + Vec3 u{1,2,3}; + Vec3 a = s.matvec(u), b = s.Tmatvec(u); + CHECK_CLOSE(a[0], b[0], EPS); CHECK_CLOSE(a[1], b[1], EPS); CHECK_CLOSE(a[2], b[2], EPS); +} + +TEST_CASE("Mat3: curl") { + // curl of (x, y, z) velocity field with gradient = identity -> curl = 0 + Mat3 I{{{1,0,0},{0,1,0},{0,0,1}}}; + Vec3 c = I.curl(); + CHECK_CLOSE(c[0], 0.0, EPS); CHECK_CLOSE(c[1], 0.0, EPS); CHECK_CLOSE(c[2], 0.0, EPS); + + // solid body rotation about z-axis: v = (-y, x, 0), grad = {{0,-1,0},{1,0,0},{0,0,0}} + // curl = (0-0, 0-0, 1-(-1)) = (0, 0, 2) + Mat3 rot{{{0,-1,0},{1,0,0},{0,0,0}}}; + c = rot.curl(); + CHECK_CLOSE(c[0], 0.0, EPS); CHECK_CLOSE(c[1], 0.0, EPS); CHECK_CLOSE(c[2], 2.0, EPS); +} + +TEST_CASE("Mat3: arithmetic operators") { + Mat3 a{{{1,2,3},{4,5,6},{7,8,9}}}; + Mat3 b{{{9,8,7},{6,5,4},{3,2,1}}}; + + Mat3 c = a + b; + CHECK_CLOSE(c[0][0], 10.0, EPS); CHECK_CLOSE(c[1][1], 10.0, EPS); CHECK_CLOSE(c[2][2], 10.0, EPS); + + Mat3 d = a - b; + CHECK_CLOSE(d[0][0], -8.0, EPS); CHECK_CLOSE(d[1][1], 0.0, EPS); CHECK_CLOSE(d[2][2], 8.0, EPS); + + Mat3 e = 2.0 * a; + CHECK_CLOSE(e[0][0], 2.0, EPS); CHECK_CLOSE(e[1][2], 12.0, EPS); + + Mat3 f = a * 2.0; + CHECK_CLOSE(f[0][0], 2.0, EPS); CHECK_CLOSE(f[1][2], 12.0, EPS); + + Mat3 g = a / 2.0; + CHECK_CLOSE(g[0][0], 0.5, EPS); CHECK_CLOSE(g[2][2], 4.5, EPS); +} + +TEST_CASE("Mat3: transpose") { + Mat3 m{{{1,2,3},{4,5,6},{7,8,9}}}; + Mat3 mt = transpose(m); + for (int i = 0; i < 3; i++) + for (int j = 0; j < 3; j++) + CHECK_CLOSE(mt[i][j], m[j][i], EPS); +} + +TEST_CASE("Mat3: sizeof layout") { + CHECK(sizeof(Mat3) == 9 * sizeof(double)); + CHECK(sizeof(Mat3) == 9 * sizeof(float)); +} + +// ============================================================ +// SymmetricTensor2 +// ============================================================ + +TEST_CASE("SymmetricTensor2: storage layout [xx,yy,zz,xy,yz,xz]") { + SymmetricTensor2 s{1.0, 2.0, 3.0, 4.0, 5.0, 6.0}; + // data[0]=xx, data[1]=yy, data[2]=zz, data[3]=xy, data[4]=yz, data[5]=xz + CHECK_CLOSE(s.data[0], 1.0, EPS); // xx + CHECK_CLOSE(s.data[1], 2.0, EPS); // yy + CHECK_CLOSE(s.data[2], 3.0, EPS); // zz + CHECK_CLOSE(s.data[3], 4.0, EPS); // xy + CHECK_CLOSE(s.data[4], 5.0, EPS); // yz + CHECK_CLOSE(s.data[5], 6.0, EPS); // xz +} + +TEST_CASE("SymmetricTensor2: flat_index mapping") { + // Diagonals + CHECK(SymmetricTensor2::flat_index(0, 0) == 0); + CHECK(SymmetricTensor2::flat_index(1, 1) == 1); + CHECK(SymmetricTensor2::flat_index(2, 2) == 2); + // Off-diagonals (both orderings should give same index) + CHECK(SymmetricTensor2::flat_index(0, 1) == 3); + CHECK(SymmetricTensor2::flat_index(1, 0) == 3); + CHECK(SymmetricTensor2::flat_index(1, 2) == 4); + CHECK(SymmetricTensor2::flat_index(2, 1) == 4); + CHECK(SymmetricTensor2::flat_index(0, 2) == 5); + CHECK(SymmetricTensor2::flat_index(2, 0) == 5); +} + +TEST_CASE("SymmetricTensor2: [i][j] proxy access matches data layout") { + SymmetricTensor2 s{11.0, 22.0, 33.0, 12.0, 23.0, 13.0}; + // Diagonals + CHECK_CLOSE(s[0][0], 11.0, EPS); + CHECK_CLOSE(s[1][1], 22.0, EPS); + CHECK_CLOSE(s[2][2], 33.0, EPS); + // Off-diagonals — symmetric access + CHECK_CLOSE(s[0][1], 12.0, EPS); CHECK_CLOSE(s[1][0], 12.0, EPS); + CHECK_CLOSE(s[1][2], 23.0, EPS); CHECK_CLOSE(s[2][1], 23.0, EPS); + CHECK_CLOSE(s[0][2], 13.0, EPS); CHECK_CLOSE(s[2][0], 13.0, EPS); +} + +TEST_CASE("SymmetricTensor2: [i][j] write goes to correct storage") { + SymmetricTensor2 s{}; + s[0][0] = 1; s[1][1] = 2; s[2][2] = 3; + s[0][1] = 4; s[1][2] = 5; s[0][2] = 6; + CHECK_CLOSE(s.data[0], 1.0, EPS); + CHECK_CLOSE(s.data[1], 2.0, EPS); + CHECK_CLOSE(s.data[2], 3.0, EPS); + CHECK_CLOSE(s.data[3], 4.0, EPS); + CHECK_CLOSE(s.data[4], 5.0, EPS); + CHECK_CLOSE(s.data[5], 6.0, EPS); + // Writing via transposed index hits same storage + s[1][0] = 99.0; + CHECK_CLOSE(s.data[3], 99.0, EPS); // xy slot + CHECK_CLOSE(s[0][1], 99.0, EPS); // reading back via (0,1) +} + +TEST_CASE("SymmetricTensor2: const [i][j] access") { + const SymmetricTensor2 s{1,2,3,4,5,6}; + CHECK_CLOSE(s[0][0], 1.0, EPS); + CHECK_CLOSE(s[1][0], 4.0, EPS); + CHECK_CLOSE(s[0][1], 4.0, EPS); +} + +TEST_CASE("SymmetricTensor2: trace") { + SymmetricTensor2 s{1.0, 2.0, 3.0, 99.0, 99.0, 99.0}; + CHECK_CLOSE(s.trace(), 6.0, EPS); // 1 + 2 + 3 +} + +TEST_CASE("SymmetricTensor2: set_isotropic") { + SymmetricTensor2 s{99,99,99,99,99,99}; + s.set_isotropic(1.0 / 3.0); + CHECK_CLOSE(s[0][0], 1.0/3.0, EPS); + CHECK_CLOSE(s[1][1], 1.0/3.0, EPS); + CHECK_CLOSE(s[2][2], 1.0/3.0, EPS); + CHECK_CLOSE(s[0][1], 0.0, EPS); + CHECK_CLOSE(s[1][2], 0.0, EPS); + CHECK_CLOSE(s[0][2], 0.0, EPS); + CHECK_CLOSE(s.trace(), 1.0, EPS); +} + +TEST_CASE("SymmetricTensor2: operator*= and scalar * (both orderings)") { + SymmetricTensor2 s{1,2,3,4,5,6}; + s *= 2.0; + CHECK_CLOSE(s.data[0], 2.0, EPS); CHECK_CLOSE(s.data[3], 8.0, EPS); + + SymmetricTensor2 a{1,2,3,4,5,6}; + SymmetricTensor2 b = 3.0 * a; + SymmetricTensor2 c = a * 3.0; + for (int k = 0; k < 6; k++) { + CHECK_CLOSE(b.data[k], 3.0 * a.data[k], EPS); + CHECK_CLOSE(c.data[k], b.data[k], EPS); + } +} + +TEST_CASE("SymmetricTensor2: operator/= and /") { + SymmetricTensor2 s{2,4,6,8,10,12}; + s /= 2.0; + CHECK_CLOSE(s.data[0], 1.0, EPS); CHECK_CLOSE(s.data[5], 6.0, EPS); + + SymmetricTensor2 t = SymmetricTensor2{2,4,6,8,10,12} / 2.0; + for (int k = 0; k < 6; k++) CHECK_CLOSE(t.data[k], s.data[k], EPS); +} + +TEST_CASE("SymmetricTensor2: operator+= -= and binary + -") { + SymmetricTensor2 a{1,2,3,4,5,6}; + SymmetricTensor2 b{6,5,4,3,2,1}; + + SymmetricTensor2 c = a + b; + CHECK_CLOSE(c.data[0], 7.0, EPS); CHECK_CLOSE(c.data[5], 7.0, EPS); + + SymmetricTensor2 d = a - b; + CHECK_CLOSE(d.data[0], -5.0, EPS); CHECK_CLOSE(d.data[5], 5.0, EPS); + + a += b; + for (int k = 0; k < 6; k++) CHECK_CLOSE(a.data[k], c.data[k], EPS); + + a -= b; + CHECK_CLOSE(a.data[0], 1.0, EPS); CHECK_CLOSE(a.data[5], 6.0, EPS); +} + +TEST_CASE("SymmetricTensor2: frobenius_norm_sq counts off-diag twice") { + // Identity: diag = 3*(1^2) = 3, offdiag = 0 -> total = 3 + SymmetricTensor2 I{}; I.set_isotropic(1.0); + CHECK_CLOSE(I.frobenius_norm_sq(), 3.0, EPS); + + // Single off-diagonal element: s[0][1] = s[1][0] = 1, both contribute + SymmetricTensor2 s{0,0,0,1,0,0}; // only xy = 1 + CHECK_CLOSE(s.frobenius_norm_sq(), 2.0, EPS); // 1^2 counted twice + + // Full tensor: compare with explicit 3x3 sum + SymmetricTensor2 t{1,2,3,4,5,6}; + double expected = 0; + for (int i = 0; i < 3; i++) + for (int j = 0; j < 3; j++) { + double v = t[i][j]; + expected += v * v; + } + CHECK_CLOSE(t.frobenius_norm_sq(), expected, EPS); +} + +TEST_CASE("SymmetricTensor2: frobenius_norm") { + SymmetricTensor2 I{}; I.set_isotropic(1.0); + CHECK_CLOSE(I.frobenius_norm(), std::sqrt(3.0), EPS); +} + +TEST_CASE("SymmetricTensor2: matvec — identity") { + SymmetricTensor2 I{}; I.set_isotropic(1.0); + Vec3 v{3, 4, 5}; + Vec3 r = I.matvec(v); + CHECK_CLOSE(r[0], 3.0, EPS); CHECK_CLOSE(r[1], 4.0, EPS); CHECK_CLOSE(r[2], 5.0, EPS); +} + +TEST_CASE("SymmetricTensor2: matvec — general, matches brute-force [i][j]") { + SymmetricTensor2 s{1,2,3,4,5,6}; // xx=1,yy=2,zz=3,xy=4,yz=5,xz=6 + Vec3 v{7, 8, 9}; + Vec3 r = s.matvec(v); + + // brute-force reference + for (int i = 0; i < 3; i++) { + double ref = 0; + for (int j = 0; j < 3; j++) ref += s[i][j] * v[j]; + CHECK_CLOSE(r[i], ref, EPS); + } +} + +TEST_CASE("SymmetricTensor2: matvec is symmetric (v . S . w == w . S . v)") { + SymmetricTensor2 s{2,3,5,7,11,13}; + Vec3 v{1,2,3}, w{4,5,6}; + double vSw = dot(v, s.matvec(w)); + double wSv = dot(w, s.matvec(v)); + CHECK_CLOSE(vSw, wSv, EPS); +} + +TEST_CASE("SymmetricTensor2: outer_product storage order") { + Vec3 v{2.0, 3.0, 5.0}; + SymmetricTensor2 op = outer_product(v); + CHECK_CLOSE(op.data[0], 4.0, EPS); // xx = 2*2 + CHECK_CLOSE(op.data[1], 9.0, EPS); // yy = 3*3 + CHECK_CLOSE(op.data[2], 25.0, EPS); // zz = 5*5 + CHECK_CLOSE(op.data[3], 6.0, EPS); // xy = 2*3 + CHECK_CLOSE(op.data[4], 15.0, EPS); // yz = 3*5 + CHECK_CLOSE(op.data[5], 10.0, EPS); // xz = 2*5 +} + +TEST_CASE("SymmetricTensor2: outer_product [i][j] matches v[i]*v[j]") { + Vec3 v{2.0, 3.0, 5.0}; + SymmetricTensor2 op = outer_product(v); + for (int i = 0; i < 3; i++) + for (int j = 0; j < 3; j++) + CHECK_CLOSE(op[i][j], v[i] * v[j], EPS); +} + +TEST_CASE("SymmetricTensor2: outer_product matvec gives (v.w)*v") { + Vec3 v{2.0, 3.0, 5.0}, w{7.0, 11.0, 13.0}; + SymmetricTensor2 op = outer_product(v); + Vec3 r = op.matvec(w); + double vdotw = dot(v, w); + CHECK_CLOSE(r[0], vdotw * v[0], EPS); + CHECK_CLOSE(r[1], vdotw * v[1], EPS); + CHECK_CLOSE(r[2], vdotw * v[2], EPS); +} + +TEST_CASE("SymmetricTensor2: double_contract with identity") { + SymmetricTensor2 s{1,2,3,4,5,6}; + Mat3 I{{{1,0,0},{0,1,0},{0,0,1}}}; + // S : I = trace(S) = 1+2+3 = 6 + CHECK_CLOSE(s.double_contract(I), 6.0, EPS); +} + +TEST_CASE("SymmetricTensor2: double_contract with general matrix") { + SymmetricTensor2 s{1,2,3,4,5,6}; // xx=1,yy=2,zz=3,xy=4,yz=5,xz=6 + Mat3 m{{{1,2,3},{4,5,6},{7,8,9}}}; + + // brute-force: sum_ij s[i][j] * m[i][j] + double expected = 0; + for (int i = 0; i < 3; i++) + for (int j = 0; j < 3; j++) + expected += s[i][j] * m[i][j]; + CHECK_CLOSE(s.double_contract(m), expected, EPS); +} + +TEST_CASE("SymmetricTensor2: double_contract with symmetric M equals S:M = S:M^T") { + SymmetricTensor2 s{2,3,5,7,11,13}; + Mat3 M{{{1,4,7},{2,5,8},{3,6,9}}}; + // For symmetric S: S:M == S:M^T + Mat3 Mt = transpose(M); + CHECK_CLOSE(s.double_contract(M), s.double_contract(Mt), EPS); +} + +TEST_CASE("SymmetricTensor2: zero initialization") { + SymmetricTensor2 s{}; + for (int k = 0; k < 6; k++) CHECK_CLOSE(s.data[k], 0.0, EPS); + CHECK_CLOSE(s.trace(), 0.0, EPS); + CHECK_CLOSE(s.frobenius_norm(), 0.0, EPS); +} + +// ============================================================ +// Cross-type: SymmetricTensor2 matvec vs Mat3 matvec +// ============================================================ + +TEST_CASE("SymmetricTensor2 vs Mat3: matvec agrees for symmetric matrix") { + SymmetricTensor2 s{2,3,5,7,11,13}; + Mat3 m{}; + for (int i = 0; i < 3; i++) + for (int j = 0; j < 3; j++) + m[i][j] = s[i][j]; + + Vec3 v{17, 19, 23}; + Vec3 rs = s.matvec(v); + Vec3 rm = m.matvec(v); + CHECK_CLOSE(rs[0], rm[0], EPS); + CHECK_CLOSE(rs[1], rm[1], EPS); + CHECK_CLOSE(rs[2], rm[2], EPS); +} + +// ---- Mat3 det and invert ---- + +TEST_CASE("Mat3: det of identity is 1") { + Mat3 I = {{{1,0,0},{0,1,0},{0,0,1}}}; + CHECK_CLOSE(I.det(), 1.0, EPS); +} + +TEST_CASE("Mat3: det of known matrix") { + Mat3 A = {{{1,2,3},{0,4,5},{1,0,6}}}; + // det = 1*(4*6-5*0) - 2*(0*6-5*1) + 3*(0*0-4*1) = 24+10-12 = 22 + CHECK_CLOSE(A.det(), 22.0, EPS); +} + +TEST_CASE("Mat3: invert of identity is identity") { + Mat3 I = {{{1,0,0},{0,1,0},{0,0,1}}}; + Mat3 Iinv; + double d = I.invert(Iinv); + CHECK_CLOSE(d, 1.0, EPS); + for(int i=0;i<3;i++) for(int j=0;j<3;j++) + CHECK_CLOSE(Iinv[i][j], (i==j ? 1.0 : 0.0), EPS); +} + +TEST_CASE("Mat3: A * A^{-1} = I") { + Mat3 A = {{{1,2,3},{0,4,5},{1,0,6}}}; + Mat3 Ainv; + double d = A.invert(Ainv); + CHECK(d != 0.0); + // multiply A * Ainv, check it's identity + for(int i=0;i<3;i++) for(int j=0;j<3;j++) { + double sum = 0; + for(int k=0;k<3;k++) sum += A[i][k]*Ainv[k][j]; + CHECK_CLOSE(sum, (i==j ? 1.0 : 0.0), 1e-12); + } +} + +TEST_CASE("Mat3: invert of singular matrix returns 0") { + Mat3 S = {{{1,2,3},{2,4,6},{1,1,1}}}; // row 1 = 2*row 0 + Mat3 Sinv; + double d = S.invert(Sinv); + CHECK_CLOSE(d, 0.0, EPS); +} + +TEST_MAIN() diff --git a/test/unit/test_unit.py b/test/unit/test_unit.py new file mode 100644 index 000000000..79c7bde6f --- /dev/null +++ b/test/unit/test_unit.py @@ -0,0 +1,39 @@ +"""C++ unit tests: discovers, compiles, and runs all test_*.cc files in this directory.""" + +import subprocess +import pytest +import tempfile +from pathlib import Path + +UNIT_DIR = Path(__file__).parent +GIZMO_ROOT = UNIT_DIR.parent.parent +CXX = "c++" +CXXFLAGS = ["-std=c++17", "-O2", "-Wall", "-Werror", f"-I{UNIT_DIR}", f"-I{GIZMO_ROOT}"] + + +def discover_tests(): + """Find all test_*.cc files in the unit test directory.""" + return sorted(UNIT_DIR.glob("test_*.cc")) + + +@pytest.fixture(params=discover_tests(), ids=lambda p: p.stem) +def compiled_test(request, tmp_path): + """Compile a C++ test file and return the path to the binary.""" + src = request.param + binary = tmp_path / src.stem + result = subprocess.run( + [CXX] + CXXFLAGS + [str(src), "-o", str(binary)], + capture_output=True, text=True, + ) + if result.returncode != 0: + pytest.fail(f"Compilation failed for {src.name}:\n{result.stderr}") + return binary, src.name + + +def test_unit(compiled_test): + """Run a compiled C++ unit test binary.""" + binary, name = compiled_test + result = subprocess.run([str(binary)], capture_output=True, text=True, timeout=30) + output = result.stdout + result.stderr + if result.returncode != 0: + pytest.fail(f"{name} failed:\n{output}") diff --git a/test/zeldovich/Config.sh b/test/zeldovich/Config.sh new file mode 100644 index 000000000..61d93a2cf --- /dev/null +++ b/test/zeldovich/Config.sh @@ -0,0 +1,7 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +EOS_GAMMA=(5.0/3.0) +PMGRID=256 +ADAPTIVE_GRAVSOFT_FORGAS +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/zeldovich/test_zeldovich.py b/test/zeldovich/test_zeldovich.py new file mode 100644 index 000000000..878c7a264 --- /dev/null +++ b/test/zeldovich/test_zeldovich.py @@ -0,0 +1,86 @@ +"""Zeldovich pancake cosmological test (Hopkins 2015) + +Tests cosmological integration by evolving a single-mode density perturbation +(the Zeldovich pancake) and comparing against the exact solution at z=0. +The exact solution file has columns: x-position (Mpc), log10(rho/rho_mean), +log10(temperature), velocity (km/s). +""" + +import pytest +import numpy as np +from scipy.interpolate import interp1d +from scipy.stats import binned_statistic +from matplotlib import pyplot as plt +import h5py +import glob +from gizmo.test import build_and_run_test, clean_test_outputs, assert_final_time, default_mpi_ranks, default_omp_threads + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_zeldovich(num_mpi_ranks, num_omp_threads): + test_name = "zeldovich" + clean_test_outputs(test_name) + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + # Find the last snapshot (cosmological runs use ScaleFac_Between_Snapshots) + snaps = sorted(glob.glob(outputdir + "/snapshot_*.hdf5")) + if not snaps: + raise RuntimeError("GIZMO did not run successfully.") + final_snap = snaps[-1] + assert_final_time(final_snap, test_name) + + # Load simulation data + with h5py.File(final_snap, "r") as F: + coords = F["PartType0/Coordinates"][:] + rho_sim = F["PartType0/Density"][:] + masses = F["PartType0/Masses"][:] + vel = F["PartType0/Velocities"][:] + boxsize = F["Header"].attrs["BoxSize"] + + # Exact solution x is in Mpc centered on 0; sim box is in kpc from 0 to BoxSize + # BoxSize = 64000 kpc = 64 Mpc. Pancake is at box center, so shift by half a box. + box_mpc = boxsize / 1000.0 + x_sim_mpc = (coords[:, 0] / 1000.0 + box_mpc / 2) % box_mpc - box_mpc / 2 + + # Normalize density by the mean cosmic density + rho_mean = masses.sum() / boxsize**3 + logrho_sim = np.log10(rho_sim / rho_mean) + + # Load exact solution: x (Mpc), log10(rho/rho_mean), log10(T), velocity + exact = np.loadtxt(f"test/{test_name}/zeldovich_exact.txt") + x_exact = exact[:, 0] + logrho_exact = exact[:, 1] + vel_exact = exact[:, 3] + + # Bin simulation data to match exact solution coordinate range + x_bins = np.linspace(x_exact.min(), x_exact.max(), 60) + logrho_binned = binned_statistic(x_sim_mpc, logrho_sim, "median", x_bins)[0] + vel_binned = binned_statistic(x_sim_mpc, vel[:, 0], "median", x_bins)[0] + x_centers = 0.5 * (x_bins[:-1] + x_bins[1:]) + + # Interpolate exact solution to bin centers + logrho_exact_interp = interp1d(x_exact, logrho_exact, bounds_error=False, fill_value="extrapolate")(x_centers) + vel_exact_interp = interp1d(x_exact, vel_exact, bounds_error=False, fill_value="extrapolate")(x_centers) + + # Plot + for label, binned, exact_vals in [ + ("LogDensity", logrho_binned, logrho_exact_interp), + ("Velocity", vel_binned, vel_exact_interp), + ]: + plt.figure() + plt.plot(x_centers, binned, "o", markersize=3, label="GIZMO") + plt.plot(x_centers, exact_vals, "-", color="red", label="Exact") + plt.xlabel("x (Mpc)") + plt.ylabel(label) + plt.legend() + plt.savefig(f"test/{test_name}/{label}.png") + plt.close() + + # Check density profile - exclude the sharp caustic peak (|x| < 2 Mpc) + # where numerical smoothing prevents exact agreement + good = np.isfinite(logrho_binned) & np.isfinite(logrho_exact_interp) & (np.abs(x_centers) > 2.0) + if np.any(good): + L1_logrho = np.nanmean(np.abs(logrho_binned[good] - logrho_exact_interp[good])) + assert L1_logrho < 0.3, f"Log density profile L1 error {L1_logrho:.4f} exceeds tolerance" diff --git a/test/zeldovich/zeldovich.params b/test/zeldovich/zeldovich.params new file mode 100644 index 000000000..fd2d7f5a6 --- /dev/null +++ b/test/zeldovich/zeldovich.params @@ -0,0 +1,52 @@ +% Zeldovich pancake cosmological test (Hopkins 2015) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% EOS_GAMMA=(5.0/3.0) +% PMGRID=256 +% ADAPTIVE_GRAVSOFT_FORGAS +% +InitCondFile zeldovich_ics +OutputDir output +TimeBegin 0.00990099 +TimeMax 1 +ComovingIntegrationOn 1 +Omega_Matter 1 +Omega_Lambda 0 +Omega_Baryon 1 +HubbleParam 1 +BoxSize 64000 +TimeOfFirstSnapshot 0.00990099 +ScaleFac_Between_Snapshots 1.05 +MaxSizeTimestep 0.01 +DesNumNgb 32 +MaxNumNgbDeviation 0.1 +MaxMemSize 3000 +UnitLength_in_cm 3.085678e+21 +UnitMass_in_g 1.989e+43 +UnitVelocity_in_cm_per_s 100000 +SofteningGas 100 +Softening_Type1 0 +Softening_Type2 0 +Softening_Type3 0 +Softening_Type4 0 +Softening_Type5 0 +SofteningGasMaxPhys 100 +Softening_Type1_MaxPhysLimit 0 +Softening_Type2_MaxPhysLimit 0 +Softening_Type3_MaxPhysLimit 0 +Softening_Type4_MaxPhysLimit 0 +Softening_Type5_MaxPhysLimit 0 +MinGasTemp 0.001 +CourantFac 0.2 +ArtCondConstant 0.25 +ViscosityAMin 0.025 +ViscosityAMax 2 +MinGasHsmlFractional 1 +ErrTolIntAccuracy 0.01 +MaxRMSDisplacementFac 0.1 +ErrTolForceAcc 0.001 +TimeBetStatistics 0.5 +ResubmitOn 0 +ResubmitCommand none +ErrTolTheta 0.7 diff --git a/test/zeldovich_mhd/Config.sh b/test/zeldovich_mhd/Config.sh new file mode 100644 index 000000000..0e150ac27 --- /dev/null +++ b/test/zeldovich_mhd/Config.sh @@ -0,0 +1,8 @@ +HYDRO_MESHLESS_FINITE_MASS +BOX_PERIODIC +MAGNETIC +MHD_B_SET_IN_PARAMS +PMGRID=128 +ADAPTIVE_GRAVSOFT_FORGAS +OUTPUT_IN_DOUBLEPRECISION +DEVELOPER_MODE diff --git a/test/zeldovich_mhd/test_zeldovich_mhd.py b/test/zeldovich_mhd/test_zeldovich_mhd.py new file mode 100644 index 000000000..e0608240f --- /dev/null +++ b/test/zeldovich_mhd/test_zeldovich_mhd.py @@ -0,0 +1,66 @@ +"""MHD Zeldovich pancake test (Hopkins & Raives 2016) + +Cosmological pancake collapse with an initial magnetic field. The field +should be compressed and amplified in the pancake. Checks density +structure and magnetic field amplification. +""" + +import pytest +import numpy as np +from matplotlib import pyplot as plt +import h5py +import glob +from gizmo.test import build_and_run_test, default_mpi_ranks, clean_test_outputs, assert_final_time, default_omp_threads + + +@pytest.mark.parametrize("num_mpi_ranks", (default_mpi_ranks(),)) +@pytest.mark.parametrize("num_omp_threads", (default_omp_threads(),)) +def test_zeldovich_mhd(num_mpi_ranks, num_omp_threads): + test_name = "zeldovich_mhd" + clean_test_outputs(test_name) + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + snaps = sorted(glob.glob(outputdir + "/snapshot_*.hdf5")) + if len(snaps) < 2: + raise RuntimeError("GIZMO did not run successfully.") + assert_final_time(snaps[-1], test_name) + + # Load initial and final snapshots + with h5py.File(snaps[1], "r") as F: + B0 = F["PartType0/MagneticField"][:] + rho0 = F["PartType0/Density"][:] + with h5py.File(snaps[-1], "r") as F: + Bf = F["PartType0/MagneticField"][:] + rho_f = F["PartType0/Density"][:] + pos_f = F["PartType0/Coordinates"][:] + mass_f = F["PartType0/Masses"][:] + boxsize = F["Header"].attrs["BoxSize"] + + # Plot density and |B| vs x + x = pos_f[:, 0] + Bmag = np.sqrt(np.sum(Bf**2, axis=1)) + fig, axes = plt.subplots(1, 2, figsize=(10, 4)) + order = x.argsort() + axes[0].semilogy(x[order], rho_f[order], ".", markersize=1) + axes[0].set_xlabel("x") + axes[0].set_ylabel("Density") + axes[0].set_title("Density") + axes[1].semilogy(x[order], Bmag[order], ".", markersize=1) + axes[1].set_xlabel("x") + axes[1].set_ylabel("|B|") + axes[1].set_title("Magnetic Field") + plt.tight_layout() + plt.savefig(f"test/{test_name}/profiles.png", dpi=150) + plt.close() + + # Pancake should have formed: density contrast should be significant + rho_contrast = rho_f.max() / rho_f.min() + assert rho_contrast > 10, ( + f"Pancake did not form: density contrast = {rho_contrast:.1f}" + ) + + # Magnetic field should be amplified in the dense pancake + Bmag0_max = np.max(np.sqrt(np.sum(B0**2, axis=1))) + Bmagf_max = np.max(Bmag) + assert Bmagf_max > Bmag0_max, "Magnetic field should be amplified in the pancake" diff --git a/test/zeldovich_mhd/zeldovich_mhd.params b/test/zeldovich_mhd/zeldovich_mhd.params new file mode 100644 index 000000000..57b26f01a --- /dev/null +++ b/test/zeldovich_mhd/zeldovich_mhd.params @@ -0,0 +1,55 @@ +% MHD Zeldovich pancake test (Hopkins & Raives 2016) +% +% HYDRO_MESHLESS_FINITE_MASS +% BOX_PERIODIC +% MAGNETIC +% MHD_B_SET_IN_PARAMS +% PMGRID=128 +% ADAPTIVE_GRAVSOFT_FORGAS +% +% BiniY=0.05517 for weak-field, BiniY=3.395 for strong-field +% +InitCondFile zeldovich_mhd_ics +OutputDir output +TimeBegin 0.047619 +TimeMax 1 +ComovingIntegrationOn 1 +Omega_Matter 1 +Omega_Lambda 0 +Omega_Baryon 1 +HubbleParam 1 +BoxSize 1 +TimeOfFirstSnapshot 0.047619 +ScaleFac_Between_Snapshots 1.05 +MaxSizeTimestep 0.01 +DesNumNgb 32 +MaxNumNgbDeviation 0.1 +BiniX 0 +BiniY 0.05517 +BiniZ 0 +SofteningGas 0.001 +Softening_Type1 0 +Softening_Type2 0 +Softening_Type3 0 +Softening_Type4 0 +Softening_Type5 0 +SofteningGasMaxPhys 0.001 +Softening_Type1_MaxPhysLimit 0 +Softening_Type2_MaxPhysLimit 0 +Softening_Type3_MaxPhysLimit 0 +Softening_Type4_MaxPhysLimit 0 +Softening_Type5_MaxPhysLimit 0 +UnitLength_in_cm 3.085678e+24 +UnitMass_in_g 1.989e+43 +UnitVelocity_in_cm_per_s 100000 +ErrTolIntAccuracy 0.01 +CourantFac 0.2 +MaxRMSDisplacementFac 0.1 +ErrTolForceAcc 0.001 +ErrTolTheta 0.7 +TimeBetStatistics 0.5 +MaxMemSize 3000 +ResubmitOn 0 +ResubmitCommand none +DivBcleaningParabolicSigma 0.1 +DivBcleaningHyperbolicSigma 1.0 From faab5bf0ce44dd4350be2a65cbbd6a10e2da432f Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Fri, 27 Mar 2026 13:08:42 -0400 Subject: [PATCH 71/90] add meshoid as a dependency to pyproject.tol --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 8ff6faf0a..fc17600d3 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -12,7 +12,7 @@ classifiers = [ "Programming Language :: Python :: 3", "Operating System :: OS Independent", ] -dependencies = ["pytest","h5py","matplotlib","astropy","numpy", "scipy"] +dependencies = ["pytest","h5py","matplotlib","astropy","numpy", "scipy", "meshoid"] license = "MIT" From 7701ef2be3f84371bff309974a349fcb58f4b375 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Fri, 27 Mar 2026 13:31:37 -0400 Subject: [PATCH 72/90] targeted wakeup timebin: bump woken particles to dt_waker/WAKEUP instead of max_time_bin_active Instead of always bumping woken particles to the highest active timebin, use the waker's own timebin minus a fixed offset (ceil(log2(WAKEUP)) bins) so woken particles get a timestep proportional to dt_waker / WAKEUP. Encodes waker's TimeBin+1 in P[j].wakeup for hydro wakeups (>0), and uses -1 for non-hydro wakeups (sinks, merge/split, AGS, SIDM) which retain the old max_time_bin_active behavior. Co-Authored-By: Claude Opus 4.6 (1M context) --- core/timestep.cc | 14 +++++++++++++- gravity/ags_rkern.cc | 2 +- hydro/hydro_evaluate.h | 2 +- hydro/hydro_toplevel.cc | 7 +++++++ mesh/merge_split.cc | 4 ++-- sidm/cbe_integrator_flux_computation.h | 2 +- sidm/sidm_core_flux_computation.h | 2 +- sinks/sink_swallow_and_kick.cc | 2 +- 8 files changed, 27 insertions(+), 8 deletions(-) diff --git a/core/timestep.cc b/core/timestep.cc index 1d15d04d9..5ccf614c5 100644 --- a/core/timestep.cc +++ b/core/timestep.cc @@ -1281,6 +1281,9 @@ void process_wake_ups(void) MPI_Allreduce(&NeedToWakeupParticles_local, &NeedToWakeupParticles, 1, MPI_INT, MPI_MAX, MPI_COMM_WORLD); // if one process processes wakeups then they all should, just in case a woke particle gets swapped to another process before we get here + int wakeup_bin_offset = 0; + while(((integertime)1 << wakeup_bin_offset) < (integertime)WAKEUP) wakeup_bin_offset++; + if(NeedToWakeupParticles){ for(i = 0; i < NumPart; i++) { @@ -1292,7 +1295,16 @@ void process_wake_ups(void) binold = P[i].TimeBin; if(TimeBinActive[binold]) {continue;} - bin = max_time_bin_active < binold ? max_time_bin_active : binold; + if(P[i].wakeup > 0) { + /* hydro wakeup: target timestep = dt_waker / WAKEUP */ + int waker_bin = P[i].wakeup - 1; + bin = IMAX(0, waker_bin - wakeup_bin_offset); + } else { + /* generic wakeup (sinks, merge, etc.): use highest active bin */ + bin = max_time_bin_active; + } + if(bin > max_time_bin_active) {bin = max_time_bin_active;} /* must be active at next kick */ + if(bin >= binold) {bin = binold;} /* don't increase timestep */ if(bin != binold) { diff --git a/gravity/ags_rkern.cc b/gravity/ags_rkern.cc index 8a771a4a2..3f21238be 100644 --- a/gravity/ags_rkern.cc +++ b/gravity/ags_rkern.cc @@ -218,7 +218,7 @@ int ags_density_evaluate(int target, int mode, int *exportflag, int *exportnodec if(wakeup_condition) // do the wakeup { #pragma omp atomic write - P[j].wakeup = 1; + P[j].wakeup = -1; #pragma omp atomic write NeedToWakeupParticles_local = 1; } diff --git a/hydro/hydro_evaluate.h b/hydro/hydro_evaluate.h index 19b496233..a4ca0c117 100644 --- a/hydro/hydro_evaluate.h +++ b/hydro/hydro_evaluate.h @@ -473,7 +473,7 @@ int hydro_force_evaluate(int target, int mode, int *exportflag, int *exportnodec { if(kernel.vsig > WAKEUP*CellP[j].MaxSignalVel) { #pragma omp atomic write - P[j].wakeup = 1; + P[j].wakeup = (short int)(local.TimeBin + 1); #pragma omp atomic write NeedToWakeupParticles_local = 1; } diff --git a/hydro/hydro_toplevel.cc b/hydro/hydro_toplevel.cc index 36af3cb03..2124cdd16 100644 --- a/hydro/hydro_toplevel.cc +++ b/hydro/hydro_toplevel.cc @@ -290,6 +290,9 @@ struct INPUT_STRUCT_NAME MyFloat Elastic_Stress_Tensor[3][3]; #endif +#ifdef WAKEUP + int TimeBin; +#endif int NodeList[NODELISTLENGTH]; } *DATAIN_NAME, *DATAGET_NAME; @@ -533,6 +536,10 @@ static inline void particle2in_hydra(struct INPUT_STRUCT_NAME *in, int i, int lo in->DelayTime = CellP[i].DelayTime; #endif +#ifdef WAKEUP + in->TimeBin = P[i].TimeBin; +#endif + } diff --git a/mesh/merge_split.cc b/mesh/merge_split.cc index 885e47af8..12511fbc1 100644 --- a/mesh/merge_split.cc +++ b/mesh/merge_split.cc @@ -645,7 +645,7 @@ int split_particle_i(int i, int n_particles_split, int i_nearest) } #endif #ifdef WAKEUP /* TO: rather conservative. But we want to update Density and KernelRadius after the particle masses were changed */ - P[i].wakeup = 1; P[j].wakeup = 1; NeedToWakeupParticles_local = 1; + P[i].wakeup = -1; P[j].wakeup = -1; NeedToWakeupParticles_local = 1; #endif } // closes special operations required only of gas particles @@ -785,7 +785,7 @@ int merge_particles_ij(int i, int j) if(P[i].TimeBin < P[j].TimeBin) { #ifdef WAKEUP - P[j].wakeup = 1; NeedToWakeupParticles_local = 1; + P[j].wakeup = -1; NeedToWakeupParticles_local = 1; #endif } double dm_i=0,dm_j=0,de_i=0,de_j=0,dp_i[3],dp_j[3],dm_ij,de_ij,dp_ij[3]; diff --git a/sidm/cbe_integrator_flux_computation.h b/sidm/cbe_integrator_flux_computation.h index bdba24abf..0966aaecc 100644 --- a/sidm/cbe_integrator_flux_computation.h +++ b/sidm/cbe_integrator_flux_computation.h @@ -147,7 +147,7 @@ #ifdef WAKEUP if(!(TimeBinActive[P[j].TimeBin]) && (All.Time > All.TimeBegin)) {if(vsig > WAKEUP*P[j].AGS_vsig) { #pragma omp atomic write - P[j].wakeup = 1; + P[j].wakeup = -1; #pragma omp atomic write NeedToWakeupParticles_local = 1; }} diff --git a/sidm/sidm_core_flux_computation.h b/sidm/sidm_core_flux_computation.h index 74c654b03..539b5839a 100644 --- a/sidm/sidm_core_flux_computation.h +++ b/sidm/sidm_core_flux_computation.h @@ -18,7 +18,7 @@ #ifdef WAKEUP if(!(TimeBinActive[P[j].TimeBin])) {if(WAKEUP*local.dtime < Pj_dtime) { #pragma omp atomic write - P[j].wakeup=1; + P[j].wakeup=-1; #pragma omp atomic write NeedToWakeupParticles_local = 1; }} diff --git a/sinks/sink_swallow_and_kick.cc b/sinks/sink_swallow_and_kick.cc index 86743c3d4..cd2e34644 100644 --- a/sinks/sink_swallow_and_kick.cc +++ b/sinks/sink_swallow_and_kick.cc @@ -1021,7 +1021,7 @@ int sink_spawn_particle_wind_shell( int i, int dummy_cell_i_to_clone, int num_al P[j].Ti_begstep = All.Ti_Current; P[j].Ti_current = All.Ti_Current; #ifdef WAKEUP /* note - you basically MUST have this flag on for this routine to work at all -- */ P[j].dt_step = GET_INTEGERTIME_FROM_TIMEBIN(bin); - P[j].wakeup = 1; + P[j].wakeup = -1; NeedToWakeupParticles_local = 1; #endif /* this is a giant pile of variables to zero out. dont need everything here because we cloned a valid particle, but handy anyways */ From 02ff741a5d5a81035757158e382b63b2d1ac4e13 Mon Sep 17 00:00:00 2001 From: Philip Hopkins Date: Fri, 27 Mar 2026 13:22:13 -0700 Subject: [PATCH 73/90] added option for true second-order M1 RHD, using full gradient reconstruction and a more accurate Riemann solver. This is not yet fully debugged, but preliminary tests suggest it is working well. I will continue to test and debug this in the coming days, but I wanted to share the code in case anyone else wants to try it out or provide feedback. --- declarations/cell_data.h | 4 +++ hydro/gradients.cc | 53 +++++++++++++++++++++++++++++++ hydro/hydro_toplevel.cc | 10 ++++++ radiation/rt_diffusion_explicit.h | 39 +++++++++++++++++++++-- 4 files changed, 104 insertions(+), 2 deletions(-) diff --git a/declarations/cell_data.h b/declarations/cell_data.h index 44942961d..cac374e3a 100644 --- a/declarations/cell_data.h +++ b/declarations/cell_data.h @@ -123,6 +123,10 @@ extern struct gas_cell_data #endif #ifdef RT_COMPGRAD_EDDINGTON_TENSOR MyDouble Rad_E_gamma_ET[N_RT_FREQ_BINS][3]; +#endif +#if defined(RT_M1_SECONDORDER) && defined(RT_EVOLVE_FLUX) + MyFloat Rad_E_gamma_Grad[N_RT_FREQ_BINS][3]; + MyFloat Rad_Flux_Grad[N_RT_FREQ_BINS][3][3]; #endif } Gradients; MyDouble NV_T[3][3]; /*!< holds the tensor used for gradient estimation */ diff --git a/hydro/gradients.cc b/hydro/gradients.cc index ebfadfab3..bbee5d4b2 100644 --- a/hydro/gradients.cc +++ b/hydro/gradients.cc @@ -79,6 +79,9 @@ struct Quantities_for_Gradients #ifdef RT_COMPGRAD_EDDINGTON_TENSOR MyFloat Rad_E_gamma[N_RT_FREQ_BINS]; MyFloat Rad_E_gamma_ET[N_RT_FREQ_BINS][6]; +#if defined(RT_M1_SECONDORDER) && defined(RT_EVOLVE_FLUX) + MyFloat Rad_Flux[N_RT_FREQ_BINS][3]; +#endif #endif #ifdef DOGRAD_INTERNAL_ENERGY MyDouble InternalEnergy; @@ -291,6 +294,9 @@ static inline void particle2in_GasGrad(struct GasGraddata_in *in, int i, int gra { in->GQuant.Rad_E_gamma[k] = CellP[i].Rad_E_gamma_Pred[k]; int k_et; for(k_et = 0; k_et < 6; k_et++) {in->GQuant.Rad_E_gamma_ET[k][k_et] = CellP[i].ET[k][k_et];} +#if defined(RT_M1_SECONDORDER) && defined(RT_EVOLVE_FLUX) + int k_d; for(k_d = 0; k_d < 3; k_d++) {in->GQuant.Rad_Flux[k][k_d] = CellP[i].Rad_Flux_Pred[k][k_d];} +#endif } #endif #ifdef DOGRAD_INTERNAL_ENERGY @@ -473,6 +479,13 @@ static inline void out2particle_GasGrad(struct GasGraddata_out *out, int i, int MAX_ADD(GasGradDataPasser[i].Maxima.Rad_E_gamma[j],out->Maxima.Rad_E_gamma[j],mode); MIN_ADD(GasGradDataPasser[i].Minima.Rad_E_gamma[j],out->Minima.Rad_E_gamma[j],mode); for(k=0;k<3;k++) {ASSIGN_ADD_PRESET(GasGradDataPasser[i].Gradients_Rad_E_gamma[j][k],out->Gradients[k].Rad_E_gamma[j],mode);} +#if defined(RT_M1_SECONDORDER) && defined(RT_EVOLVE_FLUX) + {int k_d; for(k_d=0;k_d<3;k_d++) { + MAX_ADD(GasGradDataPasser[i].Maxima.Rad_Flux[j][k_d], out->Maxima.Rad_Flux[j][k_d], mode); + MIN_ADD(GasGradDataPasser[i].Minima.Rad_Flux[j][k_d], out->Minima.Rad_Flux[j][k_d], mode); + for(k=0;k<3;k++) {ASSIGN_ADD_PRESET(CellP[i].Gradients.Rad_Flux_Grad[j][k_d][k], out->Gradients[k].Rad_Flux[j][k_d], mode);} + }} +#endif } /* the gradient dotted into the Eddington tensor is more complicated: let's handle this below */ { @@ -629,6 +642,12 @@ void hydro_gradient_calc(void) #endif #ifdef RT_COMPGRAD_EDDINGTON_TENSOR for(k2=0;k2Gradients.Rad_E_gamma_ET[j][k] = CellP[i].Gradients.Rad_E_gamma_ET[j][k];} +#endif +#if defined(RT_M1_SECONDORDER) && defined(RT_EVOLVE_FLUX) + for(j=0;jGradients.Rad_E_gamma_Grad[j][k] = CellP[i].Gradients.Rad_E_gamma_Grad[j][k]; + int j_d; for(j_d=0;j_d<3;j_d++) {in->Gradients.Rad_Flux_Grad[j][j_d][k] = CellP[i].Gradients.Rad_Flux_Grad[j][j_d][k];} + } #endif } diff --git a/radiation/rt_diffusion_explicit.h b/radiation/rt_diffusion_explicit.h index 8212736b3..ec31cdcba 100644 --- a/radiation/rt_diffusion_explicit.h +++ b/radiation/rt_diffusion_explicit.h @@ -134,12 +134,30 @@ int k_freq; double Fluxes_Rad_Flux[N_RT_FREQ_BINS][3], V_i_phys = V_i / All.cf_a3inv, V_j_phys = V_j / All.cf_a3inv; +#ifdef RT_M1_SECONDORDER + /* face distances for second-order reconstruction: face lies at midpoint, s_star_ij=0 */ + double dist_rt_i[3], dist_rt_j[3]; + for(k=0;k<3;k++) {dist_rt_i[k] = -0.5*kernel.dp[k]; dist_rt_j[k] = 0.5*kernel.dp[k];} +#endif for(k_freq=0;k_freq0)&&(local.Mass>0)&&(P[j].Mass>0)&&(dt_hydrostep>0)&&(Face_Area_Norm>0)) { double d_scalar = scalar_i - scalar_j; @@ -149,8 +167,23 @@ /* calculate the eigenvalues for the HLLE flux-weighting */ for(k=0;k<3;k++) { - flux_i[k] = local.Rad_Flux[k_freq][k]/V_i_phys - rsol_corr*v_frame[k]*scalar_i; - flux_j[k] = CellP[j].Rad_Flux_Pred[k_freq][k]/V_j_phys - rsol_corr*v_frame[k]*scalar_j; // units (E_phys/[t_phys*L_phys^2]) [physical]. include advective flux terms here + double flux_i_raw = local.Rad_Flux[k_freq][k]/V_i_phys; + double flux_j_raw = CellP[j].Rad_Flux_Pred[k_freq][k]/V_j_phys; +#ifdef RT_M1_SECONDORDER + /* reconstruct each flux component at the face; grad is d(F_k/V_code)/dx_code, scale by cf_a3inv */ + { + MyFloat grad_F_i[3], grad_F_j[3]; + int k3; for(k3=0;k3<3;k3++) { + grad_F_i[k3] = (MyFloat)(local.Gradients.Rad_Flux_Grad[k_freq][k][k3] * All.cf_a3inv); + grad_F_j[k3] = (MyFloat)(CellP[j].Gradients.Rad_Flux_Grad[k_freq][k][k3] * All.cf_a3inv); + } + double flux_i_face, flux_j_face; + reconstruct_face_states(flux_i_raw, grad_F_i, flux_j_raw, grad_F_j, dist_rt_i, dist_rt_j, &flux_j_face, &flux_i_face, 1); + flux_i_raw = flux_i_face; flux_j_raw = flux_j_face; + } +#endif + flux_i[k] = flux_i_raw - rsol_corr*v_frame[k]*scalar_i; + flux_j[k] = flux_j_raw - rsol_corr*v_frame[k]*scalar_j; // units (E_phys/[t_phys*L_phys^2]) [physical]. include advective flux terms here double grad = 0.5*(flux_i[k] + flux_j[k]); grad_norm += grad*grad; face_dot_flux += Face_Area_Vec[k] * grad; /* remember, our 'flux' variable is a volume-integral */ @@ -193,10 +226,12 @@ q = 0.5 * c_hll * (kernel.r * All.cf_atime) / fabs(MIN_REAL_NUMBER + kappa_ij); q = (0.2 + q) / (0.2 + q + q*q); renormerFAC = DMIN(1.,fabs(cos_theta_face_flux*cos_theta_face_flux * q * hll_corr)); +#ifndef RT_M1_SECONDORDER /* with RT_M1_SECONDORDER, scalar_i/j are already face-reconstructed so this correction is redundant */ double scalar_jr=scalar_j, scalar_ir=scalar_i, d_scalar_hll=d_scalar, d_scalar_ij=0; for(k=0;k<3;k++) {scalar_jr+=0.5*kernel.dp[k]*local.Gradients.Rad_E_gamma_ET[k_freq][k]*All.cf_a3inv; scalar_ir-=0.5*kernel.dp[k]*CellP[j].Gradients.Rad_E_gamma_ET[k_freq][k]*All.cf_a3inv;} d_scalar_ij=scalar_ir-scalar_jr; if((d_scalar_ij*d_scalar>0)&&(fabs(d_scalar_ij) Date: Fri, 27 Mar 2026 22:29:53 -0700 Subject: [PATCH 74/90] cleaning up recent PR with dust size models to remove debugging and testing compiler flags --- Template_Config.sh | 28 +--------------------------- cooling/cooling.cc | 20 +++++--------------- galaxy_sf/radfb_local.cc | 2 +- solids/ism_dust_chemistry.cc | 20 ++------------------ 4 files changed, 9 insertions(+), 61 deletions(-) diff --git a/Template_Config.sh b/Template_Config.sh index 111ed24f7..791fba0f2 100644 --- a/Template_Config.sh +++ b/Template_Config.sh @@ -582,6 +582,7 @@ #GRAIN_RDI_TESTPROBLEM # top-level flag to enable a variety of test problem behaviors, customized for the idealized studies of dust dynamics in Moseley et al 2019MNRAS.489..325M, Seligman et al 2019MNRAS.485.3991S, Steinwandel et al arXiv:2111.09335, Ji et al arXiv:2112.00752, Hopkins et al 2020MNRAS.496.2123H and arXiv:2107.04608, Squire et al 2022MNRAS.510..110S. Cite these if used. #GRAIN_RDI_TESTPROBLEM_ACCEL_DEPENDS_ON_SIZE # Make the idealized external grain acceleration grain size-dependent; equivalent to assuming an absorption efficiency Q=1. Cite GRAIN_RDI_TESTPROBLEM papers. #GRAIN_RDI_TESTPROBLEM_LIVE_RADIATION_INJECTION # Enables idealized radiation injection by a source population designed to set up outflow test problems with live radiation-hydrodynamics as in Hopkins et al., arXiv:2107.04608. Cite that paper if this module is used. +#IO_DUST_NOT_IN_ICFILE # special flag needed if restarting from a snapshot (flag=2) with no dust. Will set dust species via params arguments and assume an MRN size distribution, if GALSF_ISMDUSTCHEM_MODEL is active # -------------------- # ----- MPI & Parallel-FFTW De-Bugging #DOUBLEPRECISION_FFTW # FFTW in double precision to match libraries @@ -631,33 +632,6 @@ #GALSF_ISMDUSTCHEM_PASSIVE #- decouples dust evolution from dust physics, chemisty, and feedback. Dust will evolve passively, with any physics or chemistry involving dust using constant, preset values (typically D/Z=0.4) # Options for grain size evolution model #GALSF_ISMDUSTCHEM_GRAINSIZEEVO=16 #- enable grain size evolution model w/ N number of logarithmically spaced bins (must also turn on GALSF_ISMDUSTCHEM_MODEL= 2 + (16 or 32) only) -#IO_GRAINSIZEEVO_BINS_IN_SNAPSHOT=2 # Allows you to restart from a snapshot with a SMALLER number of grain size bins only. Set to the number of bins in the snapshot. -#IO_DUST_NOT_IN_ICFILE # special flag needed if restarting from a snapshot (flag=2) with no dust. Will set dust species via params arguments and assume an MRN size distrubtion -#INIT_DUST_SIZES_LOGNORM # flag if the initalized dust population has a lognormal size distribution. Otherwise power-law MRN is assumed. -# Extra output options -#OUTPUT_GRAIN_BIN_SLOPES # Outputs the slopes of each grain size bin in addition to the total number and mass. -#OUTPUT_SHATCOAG_MASSRATE # Outputs the mass transfer rate from shattering and coagulation processes in each grain size bin. -#GALSF_ISMDUSTCHEM_SUPERSONIC_GRAIN_VELOCITY # Assumes supersonic turbulence for determining grain velocities. Default is Kolmogorov. -# Flags to turn off certain dust processes -#COAGULATION_DENSE_GAS_ENHANCEMENT_TURNOFF # Turnoff enhancement of gas density for sub-resolved coagulation. -#AGBDUST_TURNOFF -#SNEDUST_TURNOFF -#DUSTDIFFUSION_TURNOFF -#DUSTSPUTTERING_TURNOFF -#DUSTACCRETION_TURNOFF -#COULOMB_ENHANCEMENT_TURNOFF -#DUSTSNEDEST_TURNOFF -#DUSTCOAGULATION_TURNOFF -#DUSTSHATTERING_TURNOFF #DUSTPHOTODESTRUCTION_TURNON # Not included in fiducial model -# Options below are for testing the integration of dust evolution with all the dust physics included in FIRE -#PHOTOELECTRIC_TURNOFF -#MOLECULARFRACTION_TURNOFF -#RADIATIONTRANSPORT_TURNOFF # This will also affect the dust temperature calculations in FIRE-3 since these are determined from rad transport and the optically thick heating which uses rt kappa -#METALLINECOOLING_TURNOFF -#LOWTEMP_TURNOFF -#FREEELECTRON_TURNOFF -#HII_TURNOFF -#HIGHTTEMP_TURNOFF ############################################################################################################################- diff --git a/cooling/cooling.cc b/cooling/cooling.cc index c64578948..12038deae 100644 --- a/cooling/cooling.cc +++ b/cooling/cooling.cc @@ -1044,7 +1044,7 @@ double CoolingRate(double logT, double rho, double n_elec_guess, double *n_elec #endif { /* cooling rates tabulated for each species from Wiersma, Schaye, & Smith tables (2008) */ -#if defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(METALLINECOOLING_TURNOFF) +#if defined(GALSF_ISMDUSTCHEM_MODEL) LambdaMetal = GetCoolingRateWSpecies(nHcgs, logT, Z); //* nHcgs*nHcgs; #else LambdaMetal = GetCoolingRateWSpecies(nHcgs, logT, Z_all); //* nHcgs*nHcgs; @@ -1090,9 +1090,9 @@ double CoolingRate(double logT, double rho, double n_elec_guess, double *n_elec #if defined(COOL_METAL_LINES_BY_SPECIES) && ((GALSF_FB_FIRE_STELLAREVOLUTION > 2) || !defined(GALSF_FB_FIRE_STELLAREVOLUTION)) double column = evaluate_NH_from_GradRho(CellP[target].Gradients.Density,P[target].KernelRadius,CellP[target].Density,P[target].NumNgb,1,target) * UNIT_SURFDEN_IN_CGS; // converts to cgs double Z_C = DMAX(1.e-6, Z[2]/All.SolarAbundances[2]), sqrt_T=sqrt(T), ncrit_CO=1.9e4*sqrt_T, Sigma_crit_CO=3.0e-5*T/Z_C, T3=T/1.e3, EXPmax=90.; // carbon abundance (relative to solar and 1/2 factor for original assumed 0.5 depletion), critical density and column -#if defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) && !defined(LOWTEMP_TURNOFF) +#if defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) Z_C = DMAX(1.e-6, Z[2]/(0.5*All.SolarAbundances[2])); // gas-phase carbon abundance (relative to solar/2, usual assumption implicitly) -#elif defined(GALSF_ISMDUSTCHEM_MODEL) && (defined(GALSF_ISMDUSTCHEM_PASSIVE) || defined(LOWTEMP_TURNOFF)) +#elif defined(GALSF_ISMDUSTCHEM_MODEL) && defined(GALSF_ISMDUSTCHEM_PASSIVE) Z_C = DMAX(1.e-6, Z_all[2]/All.SolarAbundances[2]); #endif // TODO: can now get detailed C+, C, O, and CO abundances from SIMPLE_STEADYSTATE_CHEMISTRY routines, and compute the explicit cooling terms for slightly more accurate cooling here @@ -1133,7 +1133,7 @@ double CoolingRate(double logT, double rho, double n_elec_guess, double *n_elec #endif LambdaMol *= truncation_factor; // cutoff factor from above for where the tabulated rates take over at high temperatures LambdaDust = gas_dust_heating_coeff(target,T,Tdust) * (T-Tdust);// Note our sign convention is such that positive lambda = gas cooling -#if !defined(GALSF_ISMDUSTCHEM_MODEL) || (defined(GALSF_ISMDUSTCHEM_PASSIVE) || defined(RADIATIONTRANSPORT_TURNOFF)) +#if !defined(GALSF_ISMDUSTCHEM_MODEL) || defined(GALSF_ISMDUSTCHEM_PASSIVE) if(T>3.e5) {double dx=(T-3.e5)/2.e5; LambdaDust *= exp(-DMIN(dx*dx,40.));} /* needs to truncate at high temperatures b/c of dust destruction (in some modules we solve for this explicitly - in that case can protect this more explicitly, but here, we will make a simple approximation, otherwise we run into problems. note this is not sublimation generally, but sputtering, that causes the destruction */ #endif LambdaDust *= truncation_factor; // cutoff factor from above for where the tabulated rates take over at high temperatures @@ -1218,9 +1218,6 @@ double CoolingRate(double logT, double rho, double n_elec_guess, double *n_elec if(photoelec > 0) { LambdaPElec = -1.3e-24 * photoelec / nHcgs * (P[target].Metallicity[0]/All.SolarAbundances[0]) * return_dust_to_metals_ratio_vs_solar(target,0); // negative sign for lambda b/c heating -#if defined(GALSF_ISMDUSTCHEM_MODEL) && defined(PHOTOELECTRIC_TURNOFF) - LambdaPElec = -1.3e-24 * photoelec / nHcgs * (P[target].Metallicity[0]/All.SolarAbundances[0]); // assume D/Z ratio vs solar is 1 -#endif double x_photoelec = photoelec * sqrt(T) / (0.5 * (1.0e-12+n_elec) * nHcgs); LambdaPElec *= 0.049/(1+pow(x_photoelec/1925.,0.73)) + 0.037*pow(T/1.0e4,0.7)/(1+x_photoelec/5000.); #if defined(OUTPUT_COOLRATE_DETAIL) @@ -1896,9 +1893,6 @@ void update_explicit_molecular_fraction(int i, double dtime_cgs) double log_T=log10(T), ln_T=log(T), gamma_12=return_local_gammamultiplier(i)*gJH0/1.0e-12, shieldfac=return_uvb_shieldfac(i,gamma_12,nH_cgs,log_T), urad_from_uvb_in_G0=sqrt(shieldfac)*(gJH0/2.29e-10); // estimate UVB contribution if we have partial shielding, to full photo-dissociation rates // #ifdef METALS f_dustgas_solar=(P[i].Metallicity[0]/All.SolarAbundances[0])*return_dust_to_metals_ratio_vs_solar(i,0); // this is only used for the dust-phase formation rates below, so just the dust term here -#if defined(MOLECULARFRACTION_TURNOFF) - f_dustgas_solar=(P[i].Metallicity[0]/All.SolarAbundances[0]); // Assume D/Z ratio vs solar is 1 -#endif #endif /* get incident radiation field from whatever module we are using to track it */ #ifdef GALSF_FB_FIRE_RT_LONGRANGE @@ -1928,8 +1922,7 @@ void update_explicit_molecular_fraction(int i, double dtime_cgs) double x00 = surface_density_local / surface_density_H2_0, x01 = x00 / (sqrt(1. + 3.*dv_turb*dv_turb/(v_thermal_rms*v_thermal_rms)) * sqrt(2.)*v_thermal_rms), y_ss, x_ss_1, x_ss_sqrt, fH2_tmp, fH2_max, fH2_min, Q_max, Q_min, Q_initial; // variable needed below. note the x01 term corrects following Gnedin+Draine 2014 for the velocity gradient at the sonic scale, assuming a Burgers-type spectrum [their Eq. 3] double b_time_Mach = 0.5 * dv_turb / (v_thermal_rms/sqrt(3.)); // cs_thermal for molecular [=rms v_thermal / sqrt(3)], dv_turb to full inside dx, assume "b" prefactor for compressive-to-solenoidal ratio corresponding to the 'natural mix' = 0.5. could further multiply by 1.58 if really needed to by extended dvturb to 2h = H, and vthermal from molecular to atomic for the generating field, but not as well-justified #if defined(GALSF_ISMDUSTCHEM_MODEL) && defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) - // dust evolution model uses local mach number/clumping factors for numerous calculations - CellP[i].ISMDustChem_MachNumber = dv_turb / (v_thermal_rms/sqrt(3.)); + CellP[i].ISMDustChem_MachNumber = dv_turb / (v_thermal_rms/sqrt(3.)); // dust evolution model uses local mach number/clumping factors for numerous calculations #endif double clumping_factor = 1. + b_time_Mach*b_time_Mach; // this is the exact clumping factor for a standard lognormal PDF with S=ln[1+b^2 Mach^2] // double clumping_factor_3 = clumping_factor*clumping_factor*clumping_factor; // clumping factor N for /^n = clumping factor^(N*(N-1)/2) // @@ -2199,9 +2192,6 @@ double return_electron_fraction_from_heavy_ions(int target, double temperature, if(target >= 0) {zeta_cr = Get_CosmicRayIonizationRate_cgs(target);} // convert to ionization rate, using models as in Cummings et al. 2016 #ifdef METALS if(target>=0) {f_dustgas=0.5*P[target].Metallicity[0]*return_dust_to_metals_ratio_vs_solar(target,0) + 1.e-15;} // constant dust-to-metals ratio [floor purely numerical here, needed to avoid a spurious divergence below] -#if defined(FREEELECTRON_TURNOFF) - if(target>=0) {f_dustgas=0.5*P[target].Metallicity[0] + 1.e-15;} // Assume dust-to-metals ratio vs solar is 1 -#endif #ifdef COOL_METAL_LINES_BY_SPECIES if(target>=0) {n_ion_max = (All.SolarAbundances[6]/24.3)/XH;} // limit, to avoid over-ionization at low metallicities #endif diff --git a/galaxy_sf/radfb_local.cc b/galaxy_sf/radfb_local.cc index 3876177f8..8cc838643 100644 --- a/galaxy_sf/radfb_local.cc +++ b/galaxy_sf/radfb_local.cc @@ -433,7 +433,7 @@ int do_the_local_ionization(int target, double dt, int source) double Theat_star = 1.38 * 3.2, Z_sol = 1.; // typical IMF-averaged temp of ionizing star=32,000 K, with effective ionization temperature parameter psi=1.38 (temp of ionized e's in units of stellar temp). Then metallicity in solar units. #ifdef METALS Z_sol = P[target].Metallicity[0]/All.SolarAbundances[0]; // set metallicity -#if defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) && !defined(HII_TURNOFF) +#if defined(GALSF_ISMDUSTCHEM_MODEL) Z_sol = (P[target].Metallicity[4]-CellP[target].ISMDustChem_Dust_Metal[4])/All.SolarAbundances[4]; // cooling for HII equilibrium depends predominantly on gas-phase O so need to account for any locked up in dust #endif #endif diff --git a/solids/ism_dust_chemistry.cc b/solids/ism_dust_chemistry.cc index 9d092057e..95b4362ad 100644 --- a/solids/ism_dust_chemistry.cc +++ b/solids/ism_dust_chemistry.cc @@ -476,7 +476,6 @@ double Lambda_Dust_HighTemperature_Gas_ISM(int target, double T, double n_elec) /* routine to give yields for dust for different types of SNe (Ia & II) followed in-code */ void ISMDustChem_get_SNe_dust_yields(double *yields, int i, double t_gyr, int SNeIaFlag, double Msne) { -#if !defined(SNEDUST_TURNOFF) double dust_yields[NUM_ISMDUSTCHEM_ELEMENTS]={0}, species_yields[NUM_ISMDUSTCHEM_SPECIES]={0}; double SNeIa_age = 0.03753; int j,k,spec_indx,source_key=1; #if (GALSF_FB_FIRE_STELLAREVOLUTION > 2) SNeIa_age = 0.044; @@ -543,14 +542,12 @@ void ISMDustChem_get_SNe_dust_yields(double *yields, int i, double t_gyr, int SN #if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) ISMDustChemEvo_get_SNe_dust_grain_size_yields(yields,i,SNeIaFlag,Msne); // get dust grain size/mass yields #endif -#endif // SNE TURNOFF } /* routine to give the dust yields for AGB winds (currently no dust yield assumed for stars younger than AGB age from continuous mass-loss, i.e. O/B winds) */ void ISMDustChem_get_wind_dust_yields(double *yields, int i) { -#if !defined(AGBDUST_TURNOFF) double dust_yields[NUM_ISMDUSTCHEM_ELEMENTS]={0}, species_yields[NUM_ISMDUSTCHEM_SPECIES]={0}; int j,k,spec_indx,source_key=3; for(k=0;k1E4) { int k,j,spec_indx; @@ -1637,13 +1632,12 @@ void update_dust_sputtering(int i, double dtime_gyr, double temp, double rho) for(k=0;k vshat) {mlost_shat += All.ISMDustChem_ShatteringScaling * vikrel * shattering_coagulation_polynomial(i, k, bin_i, bin_k);} -#endif -#if !defined(DUSTCOAGULATION_TURNOFF) vcoag = All.ISMDustChem_VCoagScaling * 10 * 2.14 * sqrt((aicenter*aicenter*aicenter + akcenter*akcenter*akcenter)/pow(aicenter+akcenter,3))*pow(gamma,5./6.)/(pow((E_young/(2*(1-nu_poisson)*(1-nu_poisson))),1./3.)*pow(aicenter*akcenter/(aicenter + akcenter),5./6.)*sqrt(bulk_dens)); // cm/s if (vcoag > vshat) vcoag = vshat; // Rare cases where coagualation threshold is higher than shattering threshold // Mass lost from bin i due to coagulating collisions with grains in bin k if (vikrel <= vcoag) {mlost_coag += All.ISMDustChem_CoagulationScaling * (vikrel) * shattering_coagulation_polynomial(i, k, bin_i, bin_k);} -#endif for (bin_j=0;bin_j vshat) { Eimp = 0.5*(mk*mj/(mk+mj))*vkjrel*vkjrel; // impact energy betwen grains @@ -1789,8 +1776,6 @@ void update_dust_shattering_and_coagulation(int i, double dtime_gyr, double temp } mgained_shat += All.ISMDustChem_ShatteringScaling * vkjrel * mkj_shat * shattering_coagulation_polynomial(i, k, bin_k, bin_j); } -#endif -#if !defined(DUSTCOAGULATION_TURNOFF) vcoag = All.ISMDustChem_VCoagScaling * 10 * 2.14 * sqrt((akcenter*akcenter*akcenter + ajcenter*ajcenter*ajcenter)/pow(akcenter+ajcenter,3))*pow(gamma,5./6.)/(pow((E_young/(2*(1-nu_poisson)*(1-nu_poisson))),1./3.)*pow(akcenter*ajcenter/(akcenter + ajcenter),5./6.)*sqrt(bulk_dens)); // cm/s if (vcoag > vshat) vcoag = vshat; // Rare cases where coagualation threshold is higher than shattering threshold // Mass gained in bin i due to coagulating collisions between grains in bin k and bin j producing aggregate grains @@ -1800,7 +1785,6 @@ void update_dust_shattering_and_coagulation(int i, double dtime_gyr, double temp else {mkj_coag = 0;} mgained_coag += All.ISMDustChem_CoagulationScaling * (vkjrel) * mkj_coag * shattering_coagulation_polynomial(i, k, bin_k, bin_j); } -#endif } } // Note change in Vcell due to coagulation density enhancement only applied to coagulation mass change From 00dd0bb8f917b2eebf93d87cbced78a69b924f14 Mon Sep 17 00:00:00 2001 From: Philip Hopkins Date: Fri, 27 Mar 2026 22:36:15 -0700 Subject: [PATCH 75/90] edits --- file_io/io.cc | 14 +++++--------- file_io/read_ic.cc | 18 ------------------ turb/turbulent_diffusion.h | 2 +- 3 files changed, 6 insertions(+), 28 deletions(-) diff --git a/file_io/io.cc b/file_io/io.cc index a7350e9c5..d3f3974b2 100644 --- a/file_io/io.cc +++ b/file_io/io.cc @@ -643,7 +643,7 @@ void fill_write_buffer(enum iofields blocknr, int *startindex, int pc, int type) break; case IO_DUSTCHEMGRAINBINSLOPES: /* slopes for each grain size bin for each dust species */ -#if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) && defined(OUTPUT_GRAIN_BIN_SLOPES) +#if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) for(n = 0; n < pc; pindex++) if(P[pindex].Type == type) { @@ -677,7 +677,7 @@ void fill_write_buffer(enum iofields blocknr, int *startindex, int pc, int type) break; case IO_DUSTCHEM_COAG_MASSRATE: /* coagulation rate for each grain size bin for each dust species */ -#if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) && defined(OUTPUT_SHATCOAG_MASSRATE) +#if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) for(n = 0; n < pc; pindex++) if(P[pindex].Type == type) { @@ -693,7 +693,7 @@ case IO_DUSTCHEM_COAG_MASSRATE: /* coagulation rate for each grain size bin f #endif case IO_DUSTCHEM_SHAT_MASSRATE: /* shattering rate for each grain size bin for each dust species */ -#if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) && defined(OUTPUT_SHATCOAG_MASSRATE) +#if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) for(n = 0; n < pc; pindex++) if(P[pindex].Type == type) { @@ -2772,14 +2772,14 @@ int blockpresent(enum iofields blocknr) break; case IO_DUSTCHEMGRAINBINSLOPES: -#if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) && defined(OUTPUT_GRAIN_BIN_SLOPES) +#if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) return 1; #endif break; case IO_DUSTCHEM_COAG_MASSRATE: case IO_DUSTCHEM_SHAT_MASSRATE: -#if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) && defined(OUTPUT_SHATCOAG_MASSRATE) +#if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) return 1; #endif break; @@ -4926,10 +4926,6 @@ void write_header_attributes_in_hdf5(hid_t handle) hdf5_attribute = H5Acreate(handle, "Silicates_Element_Number", H5T_NATIVE_DOUBLE, hdf5_dataspace, H5P_DEFAULT); H5Awrite(hdf5_attribute, H5T_NATIVE_DOUBLE, All.ISMDustChem_SilicateNumberOfAtomsTable); H5Aclose(hdf5_attribute); H5Sclose(hdf5_dataspace);} -#ifdef GALSF_ISMDUSTCHEM_PASSIVE - {int holder=1; hdf5_dataspace = H5Screate(H5S_SCALAR); hdf5_attribute = H5Acreate(handle, "ISMDustChem_PassiveDustEvolution", H5T_NATIVE_INT, hdf5_dataspace, H5P_DEFAULT); - H5Awrite(hdf5_attribute, H5T_NATIVE_INT, &holder); H5Aclose(hdf5_attribute); H5Sclose(hdf5_dataspace);} -#endif #ifdef GALSF_ISMDUSTCHEM_GRAINSIZEEVO {int holder=NUM_ISMDUSTCHEM_SIZE_BINS; hdf5_dataspace = H5Screate(H5S_SCALAR); hdf5_attribute = H5Acreate(handle, "ISMDustChem_Num_Grain_Size_Bins", H5T_NATIVE_INT, hdf5_dataspace, H5P_DEFAULT); H5Awrite(hdf5_attribute, H5T_NATIVE_INT, &holder); H5Aclose(hdf5_attribute); H5Sclose(hdf5_dataspace);} diff --git a/file_io/read_ic.cc b/file_io/read_ic.cc index 83a4aa164..3f4ca3f56 100644 --- a/file_io/read_ic.cc +++ b/file_io/read_ic.cc @@ -295,11 +295,7 @@ void empty_read_buffer(enum iofields blocknr, int offset, int pc, int type) #if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) // Need to check whether the number of grain size bins is the same as the snapshot. If not zero extra bins for now and recalcuate them later in the code for(n = 0; n < pc; n++) { -#if defined(IO_GRAINSIZEEVO_BINS_IN_SNAPSHOT) - int nmax=IO_GRAINSIZEEVO_BINS_IN_SNAPSHOT; -#else int nmax=NUM_ISMDUSTCHEM_SIZE_BINS; -#endif for(k=0;k0) {bytes_per_blockelement = (header.flag_metals) * sizeof(MyInputFloat);} #endif -#if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) && defined(IO_GRAINSIZEEVO_BINS_IN_SNAPSHOT) /* Deal with different number of grain size bins in snapshot */ - if(RestartFlag==2 && (blocknr==IO_DUSTCHEMGRAINBINNUMBERS || blocknr==IO_DUSTCHEMGRAINBINMASS || blocknr==IO_DUSTCHEMGRAINBINSLOPES || blocknr==IO_DUSTCHEM_COAG_MASSRATE || blocknr==IO_DUSTCHEM_SHAT_MASSRATE) && All.ICFormat==3) {bytes_per_blockelement = (NUM_ISMDUSTCHEM_SPECIES * IO_GRAINSIZEEVO_BINS_IN_SNAPSHOT) * sizeof(MyInputFloat);} -#endif - size_t MyBufferSize = All.BufferSize; blockmaxlen = (size_t) ((MyBufferSize * 1024 * 1024) / bytes_per_blockelement); npart = get_particles_in_block(blocknr, &typelist[0]); @@ -1152,9 +1140,6 @@ void read_file(char *fname, int readTask, int lastTask) #endif #ifdef METALS /* some trickery here to enable snapshot-restarts from runs with different numbers of metal species */ if(blocknr==IO_Z && RestartFlag==2 && All.ICFormat==3 && header.flag_metals0) {dims[1] = header.flag_metals;} -#endif -#if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) && defined(IO_GRAINSIZEEVO_BINS_IN_SNAPSHOT) /* Deal with different number of grain size bins in snapshot */ - if(RestartFlag==2 && (blocknr==IO_DUSTCHEMGRAINBINNUMBERS || blocknr==IO_DUSTCHEMGRAINBINMASS || blocknr==IO_DUSTCHEMGRAINBINSLOPES || blocknr==IO_DUSTCHEM_COAG_MASSRATE || blocknr==IO_DUSTCHEM_SHAT_MASSRATE) && All.ICFormat==3) {dims[1] = (NUM_ISMDUSTCHEM_SPECIES * IO_GRAINSIZEEVO_BINS_IN_SNAPSHOT);} #endif if(dims[1] == 1) {rank = 1;} else {rank = 2;} hdf5_dataspace_in_file = H5Screate_simple(rank, dims, NULL); @@ -1172,9 +1157,6 @@ void read_file(char *fname, int readTask, int lastTask) #endif #ifdef METALS /* some trickery here to enable snapshot-restarts from runs with different numbers of metal species */ if(blocknr==IO_Z && RestartFlag==2 && All.ICFormat==3 && header.flag_metals0) {count[1] = header.flag_metals;} -#endif -#if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) && defined(IO_GRAINSIZEEVO_BINS_IN_SNAPSHOT) /* Deal with different number of grain size bins in snapshot */ - if(RestartFlag==2 && (blocknr==IO_DUSTCHEMGRAINBINNUMBERS || blocknr==IO_DUSTCHEMGRAINBINMASS || blocknr==IO_DUSTCHEMGRAINBINSLOPES || blocknr==IO_DUSTCHEM_COAG_MASSRATE || blocknr==IO_DUSTCHEM_SHAT_MASSRATE) && All.ICFormat==3) {count[1] = (NUM_ISMDUSTCHEM_SPECIES * IO_GRAINSIZEEVO_BINS_IN_SNAPSHOT);} #endif pcsum += pc; diff --git a/turb/turbulent_diffusion.h b/turb/turbulent_diffusion.h index 0ac53508f..c1ec88e68 100644 --- a/turb/turbulent_diffusion.h +++ b/turb/turbulent_diffusion.h @@ -38,7 +38,7 @@ { cmag = 0.0; double grad_dot_x_ij = 0.0; double Z_j = 0; if(k_species < NUM_METAL_SPECIES) {Z_j = P[j].Metallicity[k_species];} -#if defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(DUSTDIFFUSION_TURNOFF) +#if defined(GALSF_ISMDUSTCHEM_MODEL) if(k_species >= NUM_METAL_SPECIES) {Z_j = return_ismdustchem_species_of_interest_for_diffusion_and_yields(j,k_species,0);} #endif d_scalar = local.Metallicity[k_species]-Z_j; // physical From 1b64508b908735cdbce265404183aa6332af72df Mon Sep 17 00:00:00 2001 From: Philip Hopkins Date: Fri, 27 Mar 2026 22:38:39 -0700 Subject: [PATCH 76/90] edits --- solids/ism_dust_chemistry.cc | 114 +---------------------------------- 1 file changed, 2 insertions(+), 112 deletions(-) diff --git a/solids/ism_dust_chemistry.cc b/solids/ism_dust_chemistry.cc index 95b4362ad..fbc21ff7b 100644 --- a/solids/ism_dust_chemistry.cc +++ b/solids/ism_dust_chemistry.cc @@ -204,7 +204,6 @@ void Initialize_ISMDustChemEvo_Particle_Variables(int i) CellP[i].ISMDustChem_MachNumber = 0; if(All.Initial_ISMDustChem_Depletion > 0 && CellP[i].ISMDustChem_Dust_Metal[0] > 0) { -#if !defined(INIT_DUST_SIZES_LOGNORM) // Assume MRN powerlaw size distribution double powerlaw = -3.5; for (j=0;j0 && old_bin_mass[k]>0) { - double alower = old_bin_edges[k], aupper = old_bin_edges[k+1], acenter=old_bin_centers[k]; - old_bin_slope[k] = (3*old_bin_mass[k]/(4*M_PI*bulk_dens)-old_bin_number[k]/(4*(aupper-alower))*(pow(aupper,4)-pow(alower,4))) / ((pow(aupper,5)-pow(alower,5))/5-acenter/4*(pow(aupper,4)-pow(alower,4))); - - // Check for slope limiting - double lower_edge, upper_edge; - lower_edge = old_bin_number[k] / (aupper-alower) + old_bin_slope[k] * (alower-acenter); - upper_edge = old_bin_number[k] / (aupper-alower) + old_bin_slope[k] * (aupper-acenter); - // Large slopes can cause negative values at bin edges which are unphysical, so correct if needed. - if (lower_edge < 0 || upper_edge < 0) { - // To fix, conserve the mass of the bin but change the slope and number of grains so the - // grain size distribution is zero (to machine accuracy) at the edge - if (lower_edge < 0) { - old_bin_number[k] = 15*(alower-acenter)* old_bin_mass[k]/(M_PI*bulk_dens*(alower-aupper)*(pow(alower,3)+2*pow(alower,2)*aupper+3*alower*pow(aupper,2)+4*pow(aupper,3))); - old_bin_slope[k] = 15* old_bin_mass[k]/(M_PI*bulk_dens*(pow(alower,5)-5*alower*pow(aupper,4)+4*pow(aupper,5))); - } - else if (upper_edge < 0) { - old_bin_number[k] = 15*(acenter-aupper)* old_bin_mass[k]/(M_PI*bulk_dens*(alower-aupper)*(4*pow(alower,3)+3*pow(alower,2)*aupper+2*alower*pow(aupper,2)+pow(aupper,3))); - old_bin_slope[k] = -15* old_bin_mass[k]/(M_PI*bulk_dens*(4*pow(alower,5)-5*aupper*pow(alower,4)+pow(aupper,5))); - } - } - } - else {old_bin_slope[k]=0;} - } - // Now step through the new bins and determine the number and mass in each bin from the old values - double ak_lower, ak_upper, ak_center, al_lower, al_upper; - double aint_lower, aint_upper; - double new_bin_number[NUM_ISMDUSTCHEM_SIZE_BINS]={0}, new_bin_mass[NUM_ISMDUSTCHEM_SIZE_BINS]={0}; - // Walk through each old bin and determine grain number and mass for new bins lying within the old bin - for(k=0;k= ak_lower && al_upper <= ak_upper) {aint_lower = al_lower; aint_upper = al_upper;} - // New bin is only partially in old bin on bottom edge - else if (al_lower < ak_lower && al_upper > ak_lower) {aint_lower = ak_lower; aint_upper = al_upper;} - // New bin is only partially in old bin on top edge - else if (al_lower < ak_upper && al_upper > ak_upper) {aint_lower = al_lower; aint_upper = ak_upper;} - // New bin is not in old bin so nothing to do - else {continue;} - new_bin_number[l] += old_bin_number[k]*(aint_upper-aint_lower)/(ak_upper-ak_lower) + old_bin_slope[k]*((aint_upper*aint_upper - aint_lower*aint_lower)/2. - ak_center*(aint_upper-aint_lower)); - new_bin_mass[l] += 4*M_PI*bulk_dens/3*((old_bin_number[k]/(4*(ak_upper-ak_lower))-old_bin_slope[k]*ak_center/4)*(pow(aint_upper,4)-pow(aint_lower,4))+old_bin_slope[k]/5*(pow(aint_upper,5)-pow(aint_lower,5))); - } - } - // Update final bin numbers and slopes given total number and mass in each new bin - for(k=0;k Date: Fri, 27 Mar 2026 22:40:11 -0700 Subject: [PATCH 77/90] more cleanups to the dust module PR --- Template_Config.sh | 5 +---- cooling/cooling.cc | 18 ++++-------------- declarations/cell_data.h | 2 -- declarations/precompiler_logic.h | 2 +- eos/eos.cc | 2 +- galaxy_sf/stellar_evolution.cc | 4 ++-- hydro/hydro_toplevel.cc | 6 +----- radiation/rt_dust_opacity.cc | 2 +- radiation/rt_utilities.cc | 8 +------- 9 files changed, 12 insertions(+), 37 deletions(-) diff --git a/Template_Config.sh b/Template_Config.sh index 791fba0f2..28e2441cc 100644 --- a/Template_Config.sh +++ b/Template_Config.sh @@ -629,9 +629,6 @@ #- model = 8: additional oxygen bearing dust species which is a simple match to observations of MW oxygen depletion since they cannot be explained with purely silicate dust #- model = 16: modified "dust by species" model to be used with GALSF_ISMDUSTCHEM_GRAINSIZEEVO. Tracks size evolution of silicates (set composition), carbonaceous, and metallic iron #- model = 32: modified "dust by species" model to be used with GALSF_ISMDUSTCHEM_GRAINSIZEEVO. Tracks size evolution of silicates w/ extra O and Fe (set composition) and carbonaceous -#GALSF_ISMDUSTCHEM_PASSIVE #- decouples dust evolution from dust physics, chemisty, and feedback. Dust will evolve passively, with any physics or chemistry involving dust using constant, preset values (typically D/Z=0.4) -# Options for grain size evolution model -#GALSF_ISMDUSTCHEM_GRAINSIZEEVO=16 #- enable grain size evolution model w/ N number of logarithmically spaced bins (must also turn on GALSF_ISMDUSTCHEM_MODEL= 2 + (16 or 32) only) -#DUSTPHOTODESTRUCTION_TURNON # Not included in fiducial model +#GALSF_ISMDUSTCHEM_GRAINSIZEEVO=16 #- enable grain size evolution model w/ N number of logarithmically spaced bins (must also turn on GALSF_ISMDUSTCHEM_MODEL= 2 + (16 or 32) only) ############################################################################################################################- diff --git a/cooling/cooling.cc b/cooling/cooling.cc index 12038deae..017630e78 100644 --- a/cooling/cooling.cc +++ b/cooling/cooling.cc @@ -994,15 +994,11 @@ double CoolingRate(double logT, double rho, double n_elec_guess, double *n_elec #ifdef COOL_METAL_LINES_BY_SPECIES double Z[NUM_METAL_SPECIES] = {0.}; // gas-phase metallicity - double Z_all[NUM_METAL_SPECIES] = {0.}; // total (gas + dust) metallicity if(target>=0) { int k; -#if defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) - for(k=0;k 2) || !defined(GALSF_FB_FIRE_STELLAREVOLUTION)) double column = evaluate_NH_from_GradRho(CellP[target].Gradients.Density,P[target].KernelRadius,CellP[target].Density,P[target].NumNgb,1,target) * UNIT_SURFDEN_IN_CGS; // converts to cgs double Z_C = DMAX(1.e-6, Z[2]/All.SolarAbundances[2]), sqrt_T=sqrt(T), ncrit_CO=1.9e4*sqrt_T, Sigma_crit_CO=3.0e-5*T/Z_C, T3=T/1.e3, EXPmax=90.; // carbon abundance (relative to solar and 1/2 factor for original assumed 0.5 depletion), critical density and column -#if defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) +#if defined(GALSF_ISMDUSTCHEM_MODEL) Z_C = DMAX(1.e-6, Z[2]/(0.5*All.SolarAbundances[2])); // gas-phase carbon abundance (relative to solar/2, usual assumption implicitly) -#elif defined(GALSF_ISMDUSTCHEM_MODEL) && defined(GALSF_ISMDUSTCHEM_PASSIVE) - Z_C = DMAX(1.e-6, Z_all[2]/All.SolarAbundances[2]); #endif // TODO: can now get detailed C+, C, O, and CO abundances from SIMPLE_STEADYSTATE_CHEMISTRY routines, and compute the explicit cooling terms for slightly more accurate cooling here // #ifdef SIMPLE_STEADYSTATE_CHEMISTRY @@ -1133,7 +1123,7 @@ double CoolingRate(double logT, double rho, double n_elec_guess, double *n_elec #endif LambdaMol *= truncation_factor; // cutoff factor from above for where the tabulated rates take over at high temperatures LambdaDust = gas_dust_heating_coeff(target,T,Tdust) * (T-Tdust);// Note our sign convention is such that positive lambda = gas cooling -#if !defined(GALSF_ISMDUSTCHEM_MODEL) || defined(GALSF_ISMDUSTCHEM_PASSIVE) +#if !defined(GALSF_ISMDUSTCHEM_MODEL) if(T>3.e5) {double dx=(T-3.e5)/2.e5; LambdaDust *= exp(-DMIN(dx*dx,40.));} /* needs to truncate at high temperatures b/c of dust destruction (in some modules we solve for this explicitly - in that case can protect this more explicitly, but here, we will make a simple approximation, otherwise we run into problems. note this is not sublimation generally, but sputtering, that causes the destruction */ #endif LambdaDust *= truncation_factor; // cutoff factor from above for where the tabulated rates take over at high temperatures diff --git a/declarations/cell_data.h b/declarations/cell_data.h index 65a587401..9a46e8f43 100644 --- a/declarations/cell_data.h +++ b/declarations/cell_data.h @@ -44,10 +44,8 @@ extern struct gas_cell_data #ifdef GALSF_ISMDUSTCHEM_GRAINSIZEEVO MyDouble ISMDustChem_Dust_NumberInBin[NUM_ISMDUSTCHEM_SPECIES][NUM_ISMDUSTCHEM_SIZE_BINS]; MyDouble ISMDustChem_Dust_SlopeInBin[NUM_ISMDUSTCHEM_SPECIES][NUM_ISMDUSTCHEM_SIZE_BINS]; -#ifdef OUTPUT_SHATCOAG_MASSRATE MyDouble ISMDustChem_Coag_dMdt[NUM_ISMDUSTCHEM_SPECIES][NUM_ISMDUSTCHEM_SIZE_BINS]; /*!< shattering mass rate for each dust species and size bin */ MyDouble ISMDustChem_Shat_dMdt[NUM_ISMDUSTCHEM_SPECIES][NUM_ISMDUSTCHEM_SIZE_BINS]; /*!< shattering mass rate for each dust species and size bin */ -#endif #else MyDouble ISMDustChem_C_in_CO; /*!< C metallicity locked in CO */ MyDouble ISMDustChem_MassFractionInDenseMolecular; /*!< mass fraction of gas in dense MC phase */ diff --git a/declarations/precompiler_logic.h b/declarations/precompiler_logic.h index 14ba61dba..b1d0b3d3a 100644 --- a/declarations/precompiler_logic.h +++ b/declarations/precompiler_logic.h @@ -1074,7 +1074,7 @@ #if defined(GALSF_ISMDUSTCHEM_MODEL) /* define some global and other useful variables for dust chemistry modules which also utilize the metals info above */ -#if defined(COOLING) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) && !defined(HIGHTTEMP_TURNOFF) +#if defined(COOLING) #define GALSF_ISMDUSTCHEM_HIGHTEMPDUSTCOOLING // optional, can turn off #endif #ifndef OUTPUT_MOLECULAR_FRACTION diff --git a/eos/eos.cc b/eos/eos.cc index 90bd98f21..12a5682d1 100644 --- a/eos/eos.cc +++ b/eos/eos.cc @@ -342,7 +342,7 @@ double return_dust_to_metals_ratio_vs_solar(int i, double T_dust_manual_override double Z_scaled = P[i].Metallicity[0]/All.SolarAbundances[0]; // metallicity of the particle in solar return (kappa_interp_geo_cgs / kappa_solar_geo_cgs) / (Z_scaled); // will be multiplied by metallicity to convert later #endif -#if defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) +#if defined(GALSF_ISMDUSTCHEM_MODEL) if(P[i].Metallicity[0]>0) {return (CellP[i].ISMDustChem_Dust_Metal[0]/P[i].Metallicity[0])/0.5;} else {return 0;} // use total amount of dust from 'live' dust evolution models #endif #if defined(RT_INFRARED) diff --git a/galaxy_sf/stellar_evolution.cc b/galaxy_sf/stellar_evolution.cc index 1cd180820..f3b7ca23b 100644 --- a/galaxy_sf/stellar_evolution.cc +++ b/galaxy_sf/stellar_evolution.cc @@ -582,7 +582,7 @@ void get_SNe_yields(double *yields, int i, double t_gyr, int SNeIaFlag, double * #endif // just a catch to prevent un-physical yields, need to do this here before handing them off to other routines which may use the yields (currently just the dust routines) for(k=0;kMetallicity[k] = P[i].Metallicity[k];} #if defined(GALSF_ISMDUSTCHEM_MODEL) -#if defined(DUSTDIFFUSION_TURNOFF) - for(k=NUM_METAL_SPECIES;kMetallicity[k] = 0.;} -#else for(k=NUM_METAL_SPECIES;kMetallicity[k] = return_ismdustchem_species_of_interest_for_diffusion_and_yields(i,k,0);} #endif #endif -#endif #ifdef CHIMES_TURB_DIFF_IONS for (k = 0; k < ChimesGlobalVars.totalNumberOfSpecies; k++) {in->ChimesNIons[k] = CellP[i].ChimesNIons[k]; } @@ -799,7 +795,7 @@ void hydro_final_operations_and_cleanup(void) #if defined(TURB_DIFF_METALS) || (defined(METALS) && defined(HYDRO_MESHLESS_FINITE_VOLUME)) /* update the metal masses from exchange */ for(k=0;k= N_TDUST) { // Tdust exceeds table max -#if defined(RT_OPACITY_FROM_EXPLICIT_GRAINS) || (defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE)) || defined(RT_INFRARED) || (defined(COOL_LOW_TEMPERATURES) && !defined(SINGLE_STAR_SINK_DYNAMICS)) +#if defined(RT_OPACITY_FROM_EXPLICIT_GRAINS) || defined(GALSF_ISMDUSTCHEM_MODEL) || defined(RT_INFRARED) || (defined(COOL_LOW_TEMPERATURES) && !defined(SINGLE_STAR_SINK_DYNAMICS)) Tdust_idx = N_TDUST-1; // Tdust is hot but we have explicit grain model and need IR opacity to calculate dust-to-gas ratios, so return max table value #else return MIN_REAL_NUMBER; // Tdust is hot so dust is sublimated; return smol value diff --git a/radiation/rt_utilities.cc b/radiation/rt_utilities.cc index b36546654..efc3b5266 100644 --- a/radiation/rt_utilities.cc +++ b/radiation/rt_utilities.cc @@ -155,9 +155,6 @@ double rt_kappa(int i, int k_freq) double fac = UNIT_SURFDEN_IN_CGS, Zfac, dust_to_metals_vs_standard, kappa_HHe; /* units */ Zfac = 1.0; kappa_HHe=0.35; // assume solar metallicity, simple Thompson cross-section limit for various processes below dust_to_metals_vs_standard = return_dust_to_metals_ratio_vs_solar(i,0); // many of the dust opacities below will need this as the dimensionless dust-to-metals ratio normalized to the canonical Solar value of ~1/2 -#if defined(GALSF_ISMDUSTCHEM_MODEL) && defined(RADIATIONTRANSPORT_TURNOFF) - dust_to_metals_vs_standard = 1; // override dust evolution D/Z ratio -#endif #ifdef METALS if(i>=0) {Zfac = P[i].Metallicity[0]/All.SolarAbundances[0];} #endif @@ -185,7 +182,7 @@ double rt_kappa(int i, int k_freq) #ifdef GALSF_FB_FIRE_RT_LONGRANGE /* three-band (UV, OPTICAL, IR) approximate spectra for stars as used in the FIRE (Hopkins et al.) models. mean opacities here come from integrating over the Hopkins 2004 (Pei 1992) opacities versus wavelength for the large bands here, using a luminosity-weighted mean stellar spectrum from the same starburst99 models used to compute the stellar feedback */ #if (GALSF_FB_FIRE_STELLAREVOLUTION > 2) -#if defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) +#if defined(GALSF_ISMDUSTCHEM_MODEL) // Use either MW (FIRE-3 default) or SMC (FIRE-2 default) opacities depending on the evolved local dust population composition // If silicate mass / carbonaceous mass >= 5 use SMC opacities, else MW opacities. double sil_to_C = 0; @@ -1731,9 +1728,6 @@ double rt_kappa_adaptive_IR_band(int i, double T_dust, double Trad, int do_emiss double dx_excess=0; if(x > 7.) {dx_excess=x-7.; x=7.;} // cap for maximum temperatures at which fit-functions should be used // //if(x < -4.) {x=-4.;} // cap for minimum temperatures at which fit functions below should be used // double Zfac = 1.0, dust_to_metals_vs_standard = return_dust_to_metals_ratio_vs_solar(i,T_dust); // avoid call to return_dust_to_metals_ratio_vs_solar to avert circular dependency -#if defined(GALSF_ISMDUSTCHEM_MODEL) && defined(RADIATIONTRANSPORT_TURNOFF) - dust_to_metals_vs_standard = 1; // override dust evolution D/Z ratio -#endif #ifdef METALS if(i>=0) {Zfac = P[i].Metallicity[0]/All.SolarAbundances[0];} #endif From 7f8e841bc1af2393d30e1af96a30ad1e0e7033f3 Mon Sep 17 00:00:00 2001 From: Philip Hopkins Date: Fri, 27 Mar 2026 23:24:40 -0700 Subject: [PATCH 78/90] testing --- Makefile | 8 +-- Makefile.systype | 4 +- test/evrard/test_evrard.py | 100 +++++++++++++++++++++++++++++++ test/soundwave/test_soundwave.py | 6 ++ 4 files changed, 112 insertions(+), 6 deletions(-) create mode 100644 test/evrard/test_evrard.py diff --git a/Makefile b/Makefile index d98582a09..69a78b348 100644 --- a/Makefile +++ b/Makefile @@ -187,10 +187,10 @@ MKL_INCL = # MKL_LIBS = # GSL_INCL = -I/opt/homebrew/Cellar/gsl/2.8/include #-I$(PORTINCLUDE) GSL_LIBS = -L/opt/homebrew/Cellar/gsl/2.8/lib #-L$(PORTLIB) -FFTW_INCL= -I/usr/local/include -FFTW_LIBS= -L/usr/local/lib -HDF5INCL = -I/opt/homebrew/Cellar/hdf5/1.14.6/include -DH5_USE_16_API #-I$(PORTINCLUDE) -DH5_USE_16_API -HDF5LIB = -L/opt/homebrew/Cellar/hdf5/1.14.6/lib -lhdf5 -lz #-L$(PORTLIB) +FFTW_INCL= -I/opt/homebrew/Cellar/fftw/3.3.10_3/include +FFTW_LIBS= -L/opt/homebrew/Cellar/fftw/3.3.10_3/lib +HDF5INCL = -I/opt/homebrew/Cellar/hdf5/2.1.1/include -DH5_USE_16_API #-I$(PORTINCLUDE) -DH5_USE_16_API +HDF5LIB = -L/opt/homebrew/Cellar/hdf5/2.1.1/lib -lhdf5 -lz #-L$(PORTLIB) MPICHLIB = # OPT += -DDISABLE_ALIGNED_ALLOC -DCHIMES_USE_DOUBLE_PRECISION # endif diff --git a/Makefile.systype b/Makefile.systype index fd294882e..5227dec36 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -6,9 +6,9 @@ # ############# -SYSTYPE="github-ubuntu" +#SYSTYPE="github-ubuntu" #SYSTYPE="Frontera" -#SYSTYPE="MacBookCellar" +SYSTYPE="MacBookCellar" #SYSTYPE="Expanse" #SYSTYPE="CaltechHPC" #SYSTYPE="RUSTY" diff --git a/test/evrard/test_evrard.py b/test/evrard/test_evrard.py new file mode 100644 index 000000000..71562376c --- /dev/null +++ b/test/evrard/test_evrard.py @@ -0,0 +1,100 @@ +"""Evrard adiabatic collapse test (Hopkins 2015) + +Compares the radial density, entropy, and velocity profiles at t=0.8 against +a high-resolution reference solution. +The exact solution file has columns: radius, density, entropy, velocity. +""" + +import pytest +import numpy as np +from scipy.interpolate import interp1d +from scipy.stats import binned_statistic +from matplotlib import pyplot as plt +import h5py + +from meshoid import Meshoid +from gizmo.test import build_and_run_test, default_mpi_ranks, flush_colorbar, assert_final_time, get_final_snapshot + + +def plot_evrard_density_slice(coords, rho, output_dir="."): + """Plot a density slice through the Evrard collapse center.""" + M = Meshoid(coords) + center = np.average(coords, axis=0) + rho_slice = M.Slice(np.log10(rho), res=1024, plane="z", center=center, size=1., order=1) + fig, ax = plt.subplots(figsize=(6, 6)) + im = ax.imshow(rho_slice.T, origin="lower", cmap="inferno", extent=[-0.5, 0.5, -0.5, 0.5]) + flush_colorbar(im, ax=ax, label="log10(Density)") + ax.set_xlabel("x") + ax.set_ylabel("y") + ax.set_title("Evrard Collapse - Density Slice") + fig.savefig(output_dir + "/Density_2D.png", dpi=150, bbox_inches="tight") + plt.close(fig) + + +@pytest.mark.parametrize("num_mpi_ranks,num_omp_threads", [(8, 0), (1, 8), (4, 2)]) +def test_evrard(num_mpi_ranks, num_omp_threads): + test_name = "evrard" + build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) + + outputdir = f"test/{test_name}/output" + final_snap = get_final_snapshot(test_name) + assert_final_time(final_snap, test_name) + + # Load simulation data + with h5py.File(final_snap, "r") as F: + coords = F["PartType0/Coordinates"][:] + rho_sim = F["PartType0/Density"][:] + vel = F["PartType0/Velocities"][:] + u_sim = F["PartType0/InternalEnergy"][:] + + # Compute radius from origin and radial velocity + r_sim = np.sqrt(np.sum(coords**2, axis=1)) + vr_sim = np.sum(vel * coords, axis=1) / (r_sim + 1e-30) + + # Entropy: S = P / rho^gamma = (gamma-1) * u / rho^(gamma-1) + gamma = 5.0 / 3.0 + entropy_sim = (gamma - 1) * u_sim / rho_sim ** (gamma - 1) + + # Load exact solution: radius, density, entropy, velocity + exact = np.loadtxt(f"test/{test_name}/evrard_exact.txt") + r_exact = exact[:, 0] + rho_exact = exact[:, 1] + entropy_exact = exact[:, 2] + vr_exact = exact[:, 3] + + # Bin simulation data by radius + r_bins = np.logspace(np.log10(r_exact.min()), np.log10(r_exact.max()), 30) + rho_binned = binned_statistic(r_sim, rho_sim, "median", r_bins)[0] + vr_binned = binned_statistic(r_sim, vr_sim, "median", r_bins)[0] + entropy_binned = binned_statistic(r_sim, entropy_sim, "median", r_bins)[0] + r_centers = 0.5 * (r_bins[:-1] + r_bins[1:]) + + # Interpolate exact solution to bin centers + rho_exact_interp = interp1d(r_exact, rho_exact, bounds_error=False, fill_value="extrapolate")(r_centers) + vr_exact_interp = interp1d(r_exact, vr_exact, bounds_error=False, fill_value="extrapolate")(r_centers) + + plot_evrard_density_slice(coords, rho_sim, output_dir=f"test/{test_name}") + + # Plot comparison + for label, binned, exact_vals, log in [ + ("Density", rho_binned, rho_exact_interp, True), + ("RadialVelocity", vr_binned, vr_exact_interp, False), + ]: + plt.figure() + if log: + plt.loglog(r_centers, binned, "o", markersize=3, label="GIZMO") + plt.loglog(r_centers, exact_vals, "-", color="red", label="Exact") + else: + plt.semilogx(r_centers, binned, "o", markersize=3, label="GIZMO") + plt.semilogx(r_centers, exact_vals, "-", color="red", label="Exact") + plt.xlabel("r") + plt.ylabel(label) + plt.legend() + plt.savefig(f"test/{test_name}/{label}.png") + plt.close() + + # Check density profile + good = np.isfinite(rho_binned) & np.isfinite(rho_exact_interp) & (rho_exact_interp > 0) + if np.any(good): + L1_rho = np.nanmean(np.abs(np.log10(rho_binned[good]) - np.log10(rho_exact_interp[good]))) + assert L1_rho < 0.3, f"Log density profile L1 error {L1_rho:.4f} exceeds tolerance" diff --git a/test/soundwave/test_soundwave.py b/test/soundwave/test_soundwave.py index c9a6e362d..8f69c7bb6 100644 --- a/test/soundwave/test_soundwave.py +++ b/test/soundwave/test_soundwave.py @@ -5,8 +5,14 @@ from os import path +<<<<<<< Updated upstream @pytest.mark.parametrize("num_mpi_ranks", (12,)) def test_soundwave(num_mpi_ranks): +======= + +@pytest.mark.parametrize("num_mpi_ranks,num_omp_threads", [(8, 0), (1, 8), (2, 4)]) +def test_soundwave(num_mpi_ranks, num_omp_threads): +>>>>>>> Stashed changes test_name = "soundwave" build_and_run_test(test_name, num_mpi_ranks) outputdir = f"test/{test_name}/output" From 94093db342a69b03344077ddef420af7a27c5851 Mon Sep 17 00:00:00 2001 From: Philip Hopkins Date: Fri, 27 Mar 2026 23:47:34 -0700 Subject: [PATCH 79/90] Revert "more cleanups to the dust module PR" This reverts commit 85ce6fa4a6cf672ab6994902d9fe0aff65b1ea07. --- Template_Config.sh | 5 ++++- cooling/cooling.cc | 18 ++++++++++++++---- declarations/cell_data.h | 2 ++ declarations/precompiler_logic.h | 2 +- eos/eos.cc | 2 +- galaxy_sf/stellar_evolution.cc | 4 ++-- hydro/hydro_toplevel.cc | 6 +++++- radiation/rt_dust_opacity.cc | 2 +- radiation/rt_utilities.cc | 8 +++++++- 9 files changed, 37 insertions(+), 12 deletions(-) diff --git a/Template_Config.sh b/Template_Config.sh index 28e2441cc..791fba0f2 100644 --- a/Template_Config.sh +++ b/Template_Config.sh @@ -629,6 +629,9 @@ #- model = 8: additional oxygen bearing dust species which is a simple match to observations of MW oxygen depletion since they cannot be explained with purely silicate dust #- model = 16: modified "dust by species" model to be used with GALSF_ISMDUSTCHEM_GRAINSIZEEVO. Tracks size evolution of silicates (set composition), carbonaceous, and metallic iron #- model = 32: modified "dust by species" model to be used with GALSF_ISMDUSTCHEM_GRAINSIZEEVO. Tracks size evolution of silicates w/ extra O and Fe (set composition) and carbonaceous -#GALSF_ISMDUSTCHEM_GRAINSIZEEVO=16 #- enable grain size evolution model w/ N number of logarithmically spaced bins (must also turn on GALSF_ISMDUSTCHEM_MODEL= 2 + (16 or 32) only) +#GALSF_ISMDUSTCHEM_PASSIVE #- decouples dust evolution from dust physics, chemisty, and feedback. Dust will evolve passively, with any physics or chemistry involving dust using constant, preset values (typically D/Z=0.4) +# Options for grain size evolution model +#GALSF_ISMDUSTCHEM_GRAINSIZEEVO=16 #- enable grain size evolution model w/ N number of logarithmically spaced bins (must also turn on GALSF_ISMDUSTCHEM_MODEL= 2 + (16 or 32) only) +#DUSTPHOTODESTRUCTION_TURNON # Not included in fiducial model ############################################################################################################################- diff --git a/cooling/cooling.cc b/cooling/cooling.cc index 017630e78..12038deae 100644 --- a/cooling/cooling.cc +++ b/cooling/cooling.cc @@ -994,11 +994,15 @@ double CoolingRate(double logT, double rho, double n_elec_guess, double *n_elec #ifdef COOL_METAL_LINES_BY_SPECIES double Z[NUM_METAL_SPECIES] = {0.}; // gas-phase metallicity + double Z_all[NUM_METAL_SPECIES] = {0.}; // total (gas + dust) metallicity if(target>=0) { int k; -#if defined(GALSF_ISMDUSTCHEM_MODEL) - for(k=0;k 2) || !defined(GALSF_FB_FIRE_STELLAREVOLUTION)) double column = evaluate_NH_from_GradRho(CellP[target].Gradients.Density,P[target].KernelRadius,CellP[target].Density,P[target].NumNgb,1,target) * UNIT_SURFDEN_IN_CGS; // converts to cgs double Z_C = DMAX(1.e-6, Z[2]/All.SolarAbundances[2]), sqrt_T=sqrt(T), ncrit_CO=1.9e4*sqrt_T, Sigma_crit_CO=3.0e-5*T/Z_C, T3=T/1.e3, EXPmax=90.; // carbon abundance (relative to solar and 1/2 factor for original assumed 0.5 depletion), critical density and column -#if defined(GALSF_ISMDUSTCHEM_MODEL) +#if defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) Z_C = DMAX(1.e-6, Z[2]/(0.5*All.SolarAbundances[2])); // gas-phase carbon abundance (relative to solar/2, usual assumption implicitly) +#elif defined(GALSF_ISMDUSTCHEM_MODEL) && defined(GALSF_ISMDUSTCHEM_PASSIVE) + Z_C = DMAX(1.e-6, Z_all[2]/All.SolarAbundances[2]); #endif // TODO: can now get detailed C+, C, O, and CO abundances from SIMPLE_STEADYSTATE_CHEMISTRY routines, and compute the explicit cooling terms for slightly more accurate cooling here // #ifdef SIMPLE_STEADYSTATE_CHEMISTRY @@ -1123,7 +1133,7 @@ double CoolingRate(double logT, double rho, double n_elec_guess, double *n_elec #endif LambdaMol *= truncation_factor; // cutoff factor from above for where the tabulated rates take over at high temperatures LambdaDust = gas_dust_heating_coeff(target,T,Tdust) * (T-Tdust);// Note our sign convention is such that positive lambda = gas cooling -#if !defined(GALSF_ISMDUSTCHEM_MODEL) +#if !defined(GALSF_ISMDUSTCHEM_MODEL) || defined(GALSF_ISMDUSTCHEM_PASSIVE) if(T>3.e5) {double dx=(T-3.e5)/2.e5; LambdaDust *= exp(-DMIN(dx*dx,40.));} /* needs to truncate at high temperatures b/c of dust destruction (in some modules we solve for this explicitly - in that case can protect this more explicitly, but here, we will make a simple approximation, otherwise we run into problems. note this is not sublimation generally, but sputtering, that causes the destruction */ #endif LambdaDust *= truncation_factor; // cutoff factor from above for where the tabulated rates take over at high temperatures diff --git a/declarations/cell_data.h b/declarations/cell_data.h index 9a46e8f43..65a587401 100644 --- a/declarations/cell_data.h +++ b/declarations/cell_data.h @@ -44,8 +44,10 @@ extern struct gas_cell_data #ifdef GALSF_ISMDUSTCHEM_GRAINSIZEEVO MyDouble ISMDustChem_Dust_NumberInBin[NUM_ISMDUSTCHEM_SPECIES][NUM_ISMDUSTCHEM_SIZE_BINS]; MyDouble ISMDustChem_Dust_SlopeInBin[NUM_ISMDUSTCHEM_SPECIES][NUM_ISMDUSTCHEM_SIZE_BINS]; +#ifdef OUTPUT_SHATCOAG_MASSRATE MyDouble ISMDustChem_Coag_dMdt[NUM_ISMDUSTCHEM_SPECIES][NUM_ISMDUSTCHEM_SIZE_BINS]; /*!< shattering mass rate for each dust species and size bin */ MyDouble ISMDustChem_Shat_dMdt[NUM_ISMDUSTCHEM_SPECIES][NUM_ISMDUSTCHEM_SIZE_BINS]; /*!< shattering mass rate for each dust species and size bin */ +#endif #else MyDouble ISMDustChem_C_in_CO; /*!< C metallicity locked in CO */ MyDouble ISMDustChem_MassFractionInDenseMolecular; /*!< mass fraction of gas in dense MC phase */ diff --git a/declarations/precompiler_logic.h b/declarations/precompiler_logic.h index b1d0b3d3a..14ba61dba 100644 --- a/declarations/precompiler_logic.h +++ b/declarations/precompiler_logic.h @@ -1074,7 +1074,7 @@ #if defined(GALSF_ISMDUSTCHEM_MODEL) /* define some global and other useful variables for dust chemistry modules which also utilize the metals info above */ -#if defined(COOLING) +#if defined(COOLING) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) && !defined(HIGHTTEMP_TURNOFF) #define GALSF_ISMDUSTCHEM_HIGHTEMPDUSTCOOLING // optional, can turn off #endif #ifndef OUTPUT_MOLECULAR_FRACTION diff --git a/eos/eos.cc b/eos/eos.cc index 12a5682d1..90bd98f21 100644 --- a/eos/eos.cc +++ b/eos/eos.cc @@ -342,7 +342,7 @@ double return_dust_to_metals_ratio_vs_solar(int i, double T_dust_manual_override double Z_scaled = P[i].Metallicity[0]/All.SolarAbundances[0]; // metallicity of the particle in solar return (kappa_interp_geo_cgs / kappa_solar_geo_cgs) / (Z_scaled); // will be multiplied by metallicity to convert later #endif -#if defined(GALSF_ISMDUSTCHEM_MODEL) +#if defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) if(P[i].Metallicity[0]>0) {return (CellP[i].ISMDustChem_Dust_Metal[0]/P[i].Metallicity[0])/0.5;} else {return 0;} // use total amount of dust from 'live' dust evolution models #endif #if defined(RT_INFRARED) diff --git a/galaxy_sf/stellar_evolution.cc b/galaxy_sf/stellar_evolution.cc index f3b7ca23b..1cd180820 100644 --- a/galaxy_sf/stellar_evolution.cc +++ b/galaxy_sf/stellar_evolution.cc @@ -582,7 +582,7 @@ void get_SNe_yields(double *yields, int i, double t_gyr, int SNeIaFlag, double * #endif // just a catch to prevent un-physical yields, need to do this here before handing them off to other routines which may use the yields (currently just the dust routines) for(k=0;kMetallicity[k] = P[i].Metallicity[k];} #if defined(GALSF_ISMDUSTCHEM_MODEL) +#if defined(DUSTDIFFUSION_TURNOFF) + for(k=NUM_METAL_SPECIES;kMetallicity[k] = 0.;} +#else for(k=NUM_METAL_SPECIES;kMetallicity[k] = return_ismdustchem_species_of_interest_for_diffusion_and_yields(i,k,0);} #endif #endif +#endif #ifdef CHIMES_TURB_DIFF_IONS for (k = 0; k < ChimesGlobalVars.totalNumberOfSpecies; k++) {in->ChimesNIons[k] = CellP[i].ChimesNIons[k]; } @@ -795,7 +799,7 @@ void hydro_final_operations_and_cleanup(void) #if defined(TURB_DIFF_METALS) || (defined(METALS) && defined(HYDRO_MESHLESS_FINITE_VOLUME)) /* update the metal masses from exchange */ for(k=0;k= N_TDUST) { // Tdust exceeds table max -#if defined(RT_OPACITY_FROM_EXPLICIT_GRAINS) || defined(GALSF_ISMDUSTCHEM_MODEL) || defined(RT_INFRARED) || (defined(COOL_LOW_TEMPERATURES) && !defined(SINGLE_STAR_SINK_DYNAMICS)) +#if defined(RT_OPACITY_FROM_EXPLICIT_GRAINS) || (defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE)) || defined(RT_INFRARED) || (defined(COOL_LOW_TEMPERATURES) && !defined(SINGLE_STAR_SINK_DYNAMICS)) Tdust_idx = N_TDUST-1; // Tdust is hot but we have explicit grain model and need IR opacity to calculate dust-to-gas ratios, so return max table value #else return MIN_REAL_NUMBER; // Tdust is hot so dust is sublimated; return smol value diff --git a/radiation/rt_utilities.cc b/radiation/rt_utilities.cc index efc3b5266..b36546654 100644 --- a/radiation/rt_utilities.cc +++ b/radiation/rt_utilities.cc @@ -155,6 +155,9 @@ double rt_kappa(int i, int k_freq) double fac = UNIT_SURFDEN_IN_CGS, Zfac, dust_to_metals_vs_standard, kappa_HHe; /* units */ Zfac = 1.0; kappa_HHe=0.35; // assume solar metallicity, simple Thompson cross-section limit for various processes below dust_to_metals_vs_standard = return_dust_to_metals_ratio_vs_solar(i,0); // many of the dust opacities below will need this as the dimensionless dust-to-metals ratio normalized to the canonical Solar value of ~1/2 +#if defined(GALSF_ISMDUSTCHEM_MODEL) && defined(RADIATIONTRANSPORT_TURNOFF) + dust_to_metals_vs_standard = 1; // override dust evolution D/Z ratio +#endif #ifdef METALS if(i>=0) {Zfac = P[i].Metallicity[0]/All.SolarAbundances[0];} #endif @@ -182,7 +185,7 @@ double rt_kappa(int i, int k_freq) #ifdef GALSF_FB_FIRE_RT_LONGRANGE /* three-band (UV, OPTICAL, IR) approximate spectra for stars as used in the FIRE (Hopkins et al.) models. mean opacities here come from integrating over the Hopkins 2004 (Pei 1992) opacities versus wavelength for the large bands here, using a luminosity-weighted mean stellar spectrum from the same starburst99 models used to compute the stellar feedback */ #if (GALSF_FB_FIRE_STELLAREVOLUTION > 2) -#if defined(GALSF_ISMDUSTCHEM_MODEL) +#if defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) // Use either MW (FIRE-3 default) or SMC (FIRE-2 default) opacities depending on the evolved local dust population composition // If silicate mass / carbonaceous mass >= 5 use SMC opacities, else MW opacities. double sil_to_C = 0; @@ -1728,6 +1731,9 @@ double rt_kappa_adaptive_IR_band(int i, double T_dust, double Trad, int do_emiss double dx_excess=0; if(x > 7.) {dx_excess=x-7.; x=7.;} // cap for maximum temperatures at which fit-functions should be used // //if(x < -4.) {x=-4.;} // cap for minimum temperatures at which fit functions below should be used // double Zfac = 1.0, dust_to_metals_vs_standard = return_dust_to_metals_ratio_vs_solar(i,T_dust); // avoid call to return_dust_to_metals_ratio_vs_solar to avert circular dependency +#if defined(GALSF_ISMDUSTCHEM_MODEL) && defined(RADIATIONTRANSPORT_TURNOFF) + dust_to_metals_vs_standard = 1; // override dust evolution D/Z ratio +#endif #ifdef METALS if(i>=0) {Zfac = P[i].Metallicity[0]/All.SolarAbundances[0];} #endif From d9389d2a4444db7b3376aec0a1a5fcbe6672d795 Mon Sep 17 00:00:00 2001 From: Philip Hopkins Date: Fri, 27 Mar 2026 22:40:11 -0700 Subject: [PATCH 80/90] more cleanups to the dust module PR --- Template_Config.sh | 5 +---- cooling/cooling.cc | 18 ++++-------------- declarations/cell_data.h | 2 -- declarations/precompiler_logic.h | 2 +- eos/eos.cc | 2 +- galaxy_sf/stellar_evolution.cc | 4 ++-- hydro/hydro_toplevel.cc | 6 +----- radiation/rt_dust_opacity.cc | 2 +- radiation/rt_utilities.cc | 8 +------- 9 files changed, 12 insertions(+), 37 deletions(-) diff --git a/Template_Config.sh b/Template_Config.sh index 791fba0f2..28e2441cc 100644 --- a/Template_Config.sh +++ b/Template_Config.sh @@ -629,9 +629,6 @@ #- model = 8: additional oxygen bearing dust species which is a simple match to observations of MW oxygen depletion since they cannot be explained with purely silicate dust #- model = 16: modified "dust by species" model to be used with GALSF_ISMDUSTCHEM_GRAINSIZEEVO. Tracks size evolution of silicates (set composition), carbonaceous, and metallic iron #- model = 32: modified "dust by species" model to be used with GALSF_ISMDUSTCHEM_GRAINSIZEEVO. Tracks size evolution of silicates w/ extra O and Fe (set composition) and carbonaceous -#GALSF_ISMDUSTCHEM_PASSIVE #- decouples dust evolution from dust physics, chemisty, and feedback. Dust will evolve passively, with any physics or chemistry involving dust using constant, preset values (typically D/Z=0.4) -# Options for grain size evolution model -#GALSF_ISMDUSTCHEM_GRAINSIZEEVO=16 #- enable grain size evolution model w/ N number of logarithmically spaced bins (must also turn on GALSF_ISMDUSTCHEM_MODEL= 2 + (16 or 32) only) -#DUSTPHOTODESTRUCTION_TURNON # Not included in fiducial model +#GALSF_ISMDUSTCHEM_GRAINSIZEEVO=16 #- enable grain size evolution model w/ N number of logarithmically spaced bins (must also turn on GALSF_ISMDUSTCHEM_MODEL= 2 + (16 or 32) only) ############################################################################################################################- diff --git a/cooling/cooling.cc b/cooling/cooling.cc index 12038deae..017630e78 100644 --- a/cooling/cooling.cc +++ b/cooling/cooling.cc @@ -994,15 +994,11 @@ double CoolingRate(double logT, double rho, double n_elec_guess, double *n_elec #ifdef COOL_METAL_LINES_BY_SPECIES double Z[NUM_METAL_SPECIES] = {0.}; // gas-phase metallicity - double Z_all[NUM_METAL_SPECIES] = {0.}; // total (gas + dust) metallicity if(target>=0) { int k; -#if defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) - for(k=0;k 2) || !defined(GALSF_FB_FIRE_STELLAREVOLUTION)) double column = evaluate_NH_from_GradRho(CellP[target].Gradients.Density,P[target].KernelRadius,CellP[target].Density,P[target].NumNgb,1,target) * UNIT_SURFDEN_IN_CGS; // converts to cgs double Z_C = DMAX(1.e-6, Z[2]/All.SolarAbundances[2]), sqrt_T=sqrt(T), ncrit_CO=1.9e4*sqrt_T, Sigma_crit_CO=3.0e-5*T/Z_C, T3=T/1.e3, EXPmax=90.; // carbon abundance (relative to solar and 1/2 factor for original assumed 0.5 depletion), critical density and column -#if defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) +#if defined(GALSF_ISMDUSTCHEM_MODEL) Z_C = DMAX(1.e-6, Z[2]/(0.5*All.SolarAbundances[2])); // gas-phase carbon abundance (relative to solar/2, usual assumption implicitly) -#elif defined(GALSF_ISMDUSTCHEM_MODEL) && defined(GALSF_ISMDUSTCHEM_PASSIVE) - Z_C = DMAX(1.e-6, Z_all[2]/All.SolarAbundances[2]); #endif // TODO: can now get detailed C+, C, O, and CO abundances from SIMPLE_STEADYSTATE_CHEMISTRY routines, and compute the explicit cooling terms for slightly more accurate cooling here // #ifdef SIMPLE_STEADYSTATE_CHEMISTRY @@ -1133,7 +1123,7 @@ double CoolingRate(double logT, double rho, double n_elec_guess, double *n_elec #endif LambdaMol *= truncation_factor; // cutoff factor from above for where the tabulated rates take over at high temperatures LambdaDust = gas_dust_heating_coeff(target,T,Tdust) * (T-Tdust);// Note our sign convention is such that positive lambda = gas cooling -#if !defined(GALSF_ISMDUSTCHEM_MODEL) || defined(GALSF_ISMDUSTCHEM_PASSIVE) +#if !defined(GALSF_ISMDUSTCHEM_MODEL) if(T>3.e5) {double dx=(T-3.e5)/2.e5; LambdaDust *= exp(-DMIN(dx*dx,40.));} /* needs to truncate at high temperatures b/c of dust destruction (in some modules we solve for this explicitly - in that case can protect this more explicitly, but here, we will make a simple approximation, otherwise we run into problems. note this is not sublimation generally, but sputtering, that causes the destruction */ #endif LambdaDust *= truncation_factor; // cutoff factor from above for where the tabulated rates take over at high temperatures diff --git a/declarations/cell_data.h b/declarations/cell_data.h index 65a587401..9a46e8f43 100644 --- a/declarations/cell_data.h +++ b/declarations/cell_data.h @@ -44,10 +44,8 @@ extern struct gas_cell_data #ifdef GALSF_ISMDUSTCHEM_GRAINSIZEEVO MyDouble ISMDustChem_Dust_NumberInBin[NUM_ISMDUSTCHEM_SPECIES][NUM_ISMDUSTCHEM_SIZE_BINS]; MyDouble ISMDustChem_Dust_SlopeInBin[NUM_ISMDUSTCHEM_SPECIES][NUM_ISMDUSTCHEM_SIZE_BINS]; -#ifdef OUTPUT_SHATCOAG_MASSRATE MyDouble ISMDustChem_Coag_dMdt[NUM_ISMDUSTCHEM_SPECIES][NUM_ISMDUSTCHEM_SIZE_BINS]; /*!< shattering mass rate for each dust species and size bin */ MyDouble ISMDustChem_Shat_dMdt[NUM_ISMDUSTCHEM_SPECIES][NUM_ISMDUSTCHEM_SIZE_BINS]; /*!< shattering mass rate for each dust species and size bin */ -#endif #else MyDouble ISMDustChem_C_in_CO; /*!< C metallicity locked in CO */ MyDouble ISMDustChem_MassFractionInDenseMolecular; /*!< mass fraction of gas in dense MC phase */ diff --git a/declarations/precompiler_logic.h b/declarations/precompiler_logic.h index 14ba61dba..b1d0b3d3a 100644 --- a/declarations/precompiler_logic.h +++ b/declarations/precompiler_logic.h @@ -1074,7 +1074,7 @@ #if defined(GALSF_ISMDUSTCHEM_MODEL) /* define some global and other useful variables for dust chemistry modules which also utilize the metals info above */ -#if defined(COOLING) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) && !defined(HIGHTTEMP_TURNOFF) +#if defined(COOLING) #define GALSF_ISMDUSTCHEM_HIGHTEMPDUSTCOOLING // optional, can turn off #endif #ifndef OUTPUT_MOLECULAR_FRACTION diff --git a/eos/eos.cc b/eos/eos.cc index 90bd98f21..12a5682d1 100644 --- a/eos/eos.cc +++ b/eos/eos.cc @@ -342,7 +342,7 @@ double return_dust_to_metals_ratio_vs_solar(int i, double T_dust_manual_override double Z_scaled = P[i].Metallicity[0]/All.SolarAbundances[0]; // metallicity of the particle in solar return (kappa_interp_geo_cgs / kappa_solar_geo_cgs) / (Z_scaled); // will be multiplied by metallicity to convert later #endif -#if defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) +#if defined(GALSF_ISMDUSTCHEM_MODEL) if(P[i].Metallicity[0]>0) {return (CellP[i].ISMDustChem_Dust_Metal[0]/P[i].Metallicity[0])/0.5;} else {return 0;} // use total amount of dust from 'live' dust evolution models #endif #if defined(RT_INFRARED) diff --git a/galaxy_sf/stellar_evolution.cc b/galaxy_sf/stellar_evolution.cc index 1cd180820..f3b7ca23b 100644 --- a/galaxy_sf/stellar_evolution.cc +++ b/galaxy_sf/stellar_evolution.cc @@ -582,7 +582,7 @@ void get_SNe_yields(double *yields, int i, double t_gyr, int SNeIaFlag, double * #endif // just a catch to prevent un-physical yields, need to do this here before handing them off to other routines which may use the yields (currently just the dust routines) for(k=0;kMetallicity[k] = P[i].Metallicity[k];} #if defined(GALSF_ISMDUSTCHEM_MODEL) -#if defined(DUSTDIFFUSION_TURNOFF) - for(k=NUM_METAL_SPECIES;kMetallicity[k] = 0.;} -#else for(k=NUM_METAL_SPECIES;kMetallicity[k] = return_ismdustchem_species_of_interest_for_diffusion_and_yields(i,k,0);} #endif #endif -#endif #ifdef CHIMES_TURB_DIFF_IONS for (k = 0; k < ChimesGlobalVars.totalNumberOfSpecies; k++) {in->ChimesNIons[k] = CellP[i].ChimesNIons[k]; } @@ -799,7 +795,7 @@ void hydro_final_operations_and_cleanup(void) #if defined(TURB_DIFF_METALS) || (defined(METALS) && defined(HYDRO_MESHLESS_FINITE_VOLUME)) /* update the metal masses from exchange */ for(k=0;k= N_TDUST) { // Tdust exceeds table max -#if defined(RT_OPACITY_FROM_EXPLICIT_GRAINS) || (defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE)) || defined(RT_INFRARED) || (defined(COOL_LOW_TEMPERATURES) && !defined(SINGLE_STAR_SINK_DYNAMICS)) +#if defined(RT_OPACITY_FROM_EXPLICIT_GRAINS) || defined(GALSF_ISMDUSTCHEM_MODEL) || defined(RT_INFRARED) || (defined(COOL_LOW_TEMPERATURES) && !defined(SINGLE_STAR_SINK_DYNAMICS)) Tdust_idx = N_TDUST-1; // Tdust is hot but we have explicit grain model and need IR opacity to calculate dust-to-gas ratios, so return max table value #else return MIN_REAL_NUMBER; // Tdust is hot so dust is sublimated; return smol value diff --git a/radiation/rt_utilities.cc b/radiation/rt_utilities.cc index b36546654..efc3b5266 100644 --- a/radiation/rt_utilities.cc +++ b/radiation/rt_utilities.cc @@ -155,9 +155,6 @@ double rt_kappa(int i, int k_freq) double fac = UNIT_SURFDEN_IN_CGS, Zfac, dust_to_metals_vs_standard, kappa_HHe; /* units */ Zfac = 1.0; kappa_HHe=0.35; // assume solar metallicity, simple Thompson cross-section limit for various processes below dust_to_metals_vs_standard = return_dust_to_metals_ratio_vs_solar(i,0); // many of the dust opacities below will need this as the dimensionless dust-to-metals ratio normalized to the canonical Solar value of ~1/2 -#if defined(GALSF_ISMDUSTCHEM_MODEL) && defined(RADIATIONTRANSPORT_TURNOFF) - dust_to_metals_vs_standard = 1; // override dust evolution D/Z ratio -#endif #ifdef METALS if(i>=0) {Zfac = P[i].Metallicity[0]/All.SolarAbundances[0];} #endif @@ -185,7 +182,7 @@ double rt_kappa(int i, int k_freq) #ifdef GALSF_FB_FIRE_RT_LONGRANGE /* three-band (UV, OPTICAL, IR) approximate spectra for stars as used in the FIRE (Hopkins et al.) models. mean opacities here come from integrating over the Hopkins 2004 (Pei 1992) opacities versus wavelength for the large bands here, using a luminosity-weighted mean stellar spectrum from the same starburst99 models used to compute the stellar feedback */ #if (GALSF_FB_FIRE_STELLAREVOLUTION > 2) -#if defined(GALSF_ISMDUSTCHEM_MODEL) && !defined(GALSF_ISMDUSTCHEM_PASSIVE) +#if defined(GALSF_ISMDUSTCHEM_MODEL) // Use either MW (FIRE-3 default) or SMC (FIRE-2 default) opacities depending on the evolved local dust population composition // If silicate mass / carbonaceous mass >= 5 use SMC opacities, else MW opacities. double sil_to_C = 0; @@ -1731,9 +1728,6 @@ double rt_kappa_adaptive_IR_band(int i, double T_dust, double Trad, int do_emiss double dx_excess=0; if(x > 7.) {dx_excess=x-7.; x=7.;} // cap for maximum temperatures at which fit-functions should be used // //if(x < -4.) {x=-4.;} // cap for minimum temperatures at which fit functions below should be used // double Zfac = 1.0, dust_to_metals_vs_standard = return_dust_to_metals_ratio_vs_solar(i,T_dust); // avoid call to return_dust_to_metals_ratio_vs_solar to avert circular dependency -#if defined(GALSF_ISMDUSTCHEM_MODEL) && defined(RADIATIONTRANSPORT_TURNOFF) - dust_to_metals_vs_standard = 1; // override dust evolution D/Z ratio -#endif #ifdef METALS if(i>=0) {Zfac = P[i].Metallicity[0]/All.SolarAbundances[0];} #endif From d2d3b6a6677c958259fcce6deee8e5d5114d0d3a Mon Sep 17 00:00:00 2001 From: Philip Hopkins Date: Fri, 27 Mar 2026 23:53:12 -0700 Subject: [PATCH 81/90] Revert "testing" This reverts commit 7f8e841bc1af2393d30e1af96a30ad1e0e7033f3. --- Makefile | 8 +-- Makefile.systype | 4 +- test/evrard/test_evrard.py | 100 ------------------------------- test/soundwave/test_soundwave.py | 6 -- 4 files changed, 6 insertions(+), 112 deletions(-) delete mode 100644 test/evrard/test_evrard.py diff --git a/Makefile b/Makefile index 69a78b348..d98582a09 100644 --- a/Makefile +++ b/Makefile @@ -187,10 +187,10 @@ MKL_INCL = # MKL_LIBS = # GSL_INCL = -I/opt/homebrew/Cellar/gsl/2.8/include #-I$(PORTINCLUDE) GSL_LIBS = -L/opt/homebrew/Cellar/gsl/2.8/lib #-L$(PORTLIB) -FFTW_INCL= -I/opt/homebrew/Cellar/fftw/3.3.10_3/include -FFTW_LIBS= -L/opt/homebrew/Cellar/fftw/3.3.10_3/lib -HDF5INCL = -I/opt/homebrew/Cellar/hdf5/2.1.1/include -DH5_USE_16_API #-I$(PORTINCLUDE) -DH5_USE_16_API -HDF5LIB = -L/opt/homebrew/Cellar/hdf5/2.1.1/lib -lhdf5 -lz #-L$(PORTLIB) +FFTW_INCL= -I/usr/local/include +FFTW_LIBS= -L/usr/local/lib +HDF5INCL = -I/opt/homebrew/Cellar/hdf5/1.14.6/include -DH5_USE_16_API #-I$(PORTINCLUDE) -DH5_USE_16_API +HDF5LIB = -L/opt/homebrew/Cellar/hdf5/1.14.6/lib -lhdf5 -lz #-L$(PORTLIB) MPICHLIB = # OPT += -DDISABLE_ALIGNED_ALLOC -DCHIMES_USE_DOUBLE_PRECISION # endif diff --git a/Makefile.systype b/Makefile.systype index 5227dec36..fd294882e 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -6,9 +6,9 @@ # ############# -#SYSTYPE="github-ubuntu" +SYSTYPE="github-ubuntu" #SYSTYPE="Frontera" -SYSTYPE="MacBookCellar" +#SYSTYPE="MacBookCellar" #SYSTYPE="Expanse" #SYSTYPE="CaltechHPC" #SYSTYPE="RUSTY" diff --git a/test/evrard/test_evrard.py b/test/evrard/test_evrard.py deleted file mode 100644 index 71562376c..000000000 --- a/test/evrard/test_evrard.py +++ /dev/null @@ -1,100 +0,0 @@ -"""Evrard adiabatic collapse test (Hopkins 2015) - -Compares the radial density, entropy, and velocity profiles at t=0.8 against -a high-resolution reference solution. -The exact solution file has columns: radius, density, entropy, velocity. -""" - -import pytest -import numpy as np -from scipy.interpolate import interp1d -from scipy.stats import binned_statistic -from matplotlib import pyplot as plt -import h5py - -from meshoid import Meshoid -from gizmo.test import build_and_run_test, default_mpi_ranks, flush_colorbar, assert_final_time, get_final_snapshot - - -def plot_evrard_density_slice(coords, rho, output_dir="."): - """Plot a density slice through the Evrard collapse center.""" - M = Meshoid(coords) - center = np.average(coords, axis=0) - rho_slice = M.Slice(np.log10(rho), res=1024, plane="z", center=center, size=1., order=1) - fig, ax = plt.subplots(figsize=(6, 6)) - im = ax.imshow(rho_slice.T, origin="lower", cmap="inferno", extent=[-0.5, 0.5, -0.5, 0.5]) - flush_colorbar(im, ax=ax, label="log10(Density)") - ax.set_xlabel("x") - ax.set_ylabel("y") - ax.set_title("Evrard Collapse - Density Slice") - fig.savefig(output_dir + "/Density_2D.png", dpi=150, bbox_inches="tight") - plt.close(fig) - - -@pytest.mark.parametrize("num_mpi_ranks,num_omp_threads", [(8, 0), (1, 8), (4, 2)]) -def test_evrard(num_mpi_ranks, num_omp_threads): - test_name = "evrard" - build_and_run_test(test_name, num_mpi_ranks, num_omp_threads) - - outputdir = f"test/{test_name}/output" - final_snap = get_final_snapshot(test_name) - assert_final_time(final_snap, test_name) - - # Load simulation data - with h5py.File(final_snap, "r") as F: - coords = F["PartType0/Coordinates"][:] - rho_sim = F["PartType0/Density"][:] - vel = F["PartType0/Velocities"][:] - u_sim = F["PartType0/InternalEnergy"][:] - - # Compute radius from origin and radial velocity - r_sim = np.sqrt(np.sum(coords**2, axis=1)) - vr_sim = np.sum(vel * coords, axis=1) / (r_sim + 1e-30) - - # Entropy: S = P / rho^gamma = (gamma-1) * u / rho^(gamma-1) - gamma = 5.0 / 3.0 - entropy_sim = (gamma - 1) * u_sim / rho_sim ** (gamma - 1) - - # Load exact solution: radius, density, entropy, velocity - exact = np.loadtxt(f"test/{test_name}/evrard_exact.txt") - r_exact = exact[:, 0] - rho_exact = exact[:, 1] - entropy_exact = exact[:, 2] - vr_exact = exact[:, 3] - - # Bin simulation data by radius - r_bins = np.logspace(np.log10(r_exact.min()), np.log10(r_exact.max()), 30) - rho_binned = binned_statistic(r_sim, rho_sim, "median", r_bins)[0] - vr_binned = binned_statistic(r_sim, vr_sim, "median", r_bins)[0] - entropy_binned = binned_statistic(r_sim, entropy_sim, "median", r_bins)[0] - r_centers = 0.5 * (r_bins[:-1] + r_bins[1:]) - - # Interpolate exact solution to bin centers - rho_exact_interp = interp1d(r_exact, rho_exact, bounds_error=False, fill_value="extrapolate")(r_centers) - vr_exact_interp = interp1d(r_exact, vr_exact, bounds_error=False, fill_value="extrapolate")(r_centers) - - plot_evrard_density_slice(coords, rho_sim, output_dir=f"test/{test_name}") - - # Plot comparison - for label, binned, exact_vals, log in [ - ("Density", rho_binned, rho_exact_interp, True), - ("RadialVelocity", vr_binned, vr_exact_interp, False), - ]: - plt.figure() - if log: - plt.loglog(r_centers, binned, "o", markersize=3, label="GIZMO") - plt.loglog(r_centers, exact_vals, "-", color="red", label="Exact") - else: - plt.semilogx(r_centers, binned, "o", markersize=3, label="GIZMO") - plt.semilogx(r_centers, exact_vals, "-", color="red", label="Exact") - plt.xlabel("r") - plt.ylabel(label) - plt.legend() - plt.savefig(f"test/{test_name}/{label}.png") - plt.close() - - # Check density profile - good = np.isfinite(rho_binned) & np.isfinite(rho_exact_interp) & (rho_exact_interp > 0) - if np.any(good): - L1_rho = np.nanmean(np.abs(np.log10(rho_binned[good]) - np.log10(rho_exact_interp[good]))) - assert L1_rho < 0.3, f"Log density profile L1 error {L1_rho:.4f} exceeds tolerance" diff --git a/test/soundwave/test_soundwave.py b/test/soundwave/test_soundwave.py index 8f69c7bb6..c9a6e362d 100644 --- a/test/soundwave/test_soundwave.py +++ b/test/soundwave/test_soundwave.py @@ -5,14 +5,8 @@ from os import path -<<<<<<< Updated upstream @pytest.mark.parametrize("num_mpi_ranks", (12,)) def test_soundwave(num_mpi_ranks): -======= - -@pytest.mark.parametrize("num_mpi_ranks,num_omp_threads", [(8, 0), (1, 8), (2, 4)]) -def test_soundwave(num_mpi_ranks, num_omp_threads): ->>>>>>> Stashed changes test_name = "soundwave" build_and_run_test(test_name, num_mpi_ranks) outputdir = f"test/{test_name}/output" From 84350c7b54f66f75bfd3b0c45bf73b4d76d50a8e Mon Sep 17 00:00:00 2001 From: Philip Hopkins Date: Sat, 28 Mar 2026 06:26:26 -0700 Subject: [PATCH 82/90] added simple but slightly-better-than-before shock finder on the fly, still single-cell-and-neighbor based, with more robust mach estimation, using OUTPUT_SHOCK_MACH_NUMBER flag. note currently doesnt work with EOS_GENERAL because of assumption of hydrodynamic shock jump conditions. need to free this to get an approximate estimator, even, because ideal use cases do heavily involve EOS_GENERAL cases like CRs --- Makefile | 2 +- Template_Config.sh | 3 +-- declarations/allvars.h | 1 + declarations/cell_data.h | 3 +++ file_io/io.cc | 41 ++++++++++++++++++++++++++++++++++++- hydro/hydro_core_meshless.h | 38 ++++++++++++++++++++++++++++++++++ hydro/hydro_toplevel.cc | 9 ++++++++ 7 files changed, 93 insertions(+), 4 deletions(-) diff --git a/Makefile b/Makefile index c6cae3163..a7f3632c8 100644 --- a/Makefile +++ b/Makefile @@ -103,7 +103,7 @@ FINCL = #---------------------------------------------------------------------------------------------- ifeq ($(SYSTYPE),"Frontera") CC = mpicc -CXX = mpicxx -std=c++11 +CXX = mpicxx -std=c++17 FC = mpif90 -nofor_main OPTIMIZE = -ggdb -O2 -xCORE-AVX2 -Wno-unknown-pragmas -Wall -Wno-format-security -qopenmp ifeq (CHIMES,$(findstring CHIMES,$(CONFIGVARS))) diff --git a/Template_Config.sh b/Template_Config.sh index 28e2441cc..68c36807d 100644 --- a/Template_Config.sh +++ b/Template_Config.sh @@ -503,8 +503,7 @@ #EOS_ENFORCE_ADIABAT=(1.0) # if set, this forces gas to lie -exactly- along the adiabat P=EOS_ENFORCE_ADIABAT*(rho^GAMMA) #HYDRO_REPLACE_RIEMANN_KT # replaces the hydro Riemann solver (HLLC) with a Kurganov-Tadmor flux derived in Panuelos, Wadsley, and Kevlahan, 2019. works with MFM/MFV/fixed-grid methods [-without- MHD active, but other modules are fine]. more diffusive, but smoother, and more stable convergence results #SLOPE_LIMITER_TOLERANCE=1 # sets the slope-limiters used. higher=more aggressive (less diffusive, but less stable). 1=default. 0=conservative. use on problems where sharp density contrasts in poor particle arrangement may cause errors. 2=use the original GIZMO paper (more aggressive) slope-limiters. more accurate for smooth problems, but these can introduce numerical instability in problems with poorly-resolved large noise or density contrasts (e.g. multi-phase, self-gravitating flows) -#ENERGY_ENTROPY_SWITCH_IS_ACTIVE # enable energy-entropy switch as described in GIZMO methods paper. This can greatly improve performance on some problems where the - # the flow is very cold and highly super-sonic. it can cause problems in multi-phase flows with strong cooling, though, and is not compatible with non-barytropic equations of state +#ENERGY_ENTROPY_SWITCH_IS_ACTIVE # enable energy-entropy switch as described in GIZMO methods paper. This can greatly improve performance on some problems where the the flow is very cold and highly super-sonic. it can cause problems in multi-phase flows with strong cooling, though, and is not compatible with non-barytropic equations of state #FORCE_ENTROPIC_EOS_BELOW=(0.01) # set (manually) the alternative energy-entropy switch which is enabled by default in MFM/MFV: if relative velocities are below this threshold, it uses the entropic EOS #HYDRO_KERNEL_SURFACE_VOLCORR # attempt to correct SPH/MFM/MFV cell volumes for free-surface effects, using the estimated boundary correction for the Wendland C2 kernel (works with others but most accurate for this) based on asymmetry of neighbors within kernel, as calibrated in Reinhardt & Stadel 2017 (arXiv:1701.08296), see e.g. their Fig 3 #DISABLE_SURFACE_VOLCORR # disables HYDRO_KERNEL_SURFACE_VOLCORR if it would be set by default (e.g. if EOS_ELASTIC is enabled) diff --git a/declarations/allvars.h b/declarations/allvars.h index 7b68cf5fa..01e07ad50 100644 --- a/declarations/allvars.h +++ b/declarations/allvars.h @@ -1356,6 +1356,7 @@ enum iofields IO_DENS_AROUND_STAR, IO_DELAY_TIME_HII, IO_MOLECULARFRACTION, + IO_SHOCKMACHNUM, IO_LASTENTRY /* This should be kept - it signals the end of the list */ }; diff --git a/declarations/cell_data.h b/declarations/cell_data.h index 273d59139..4ab7e8ee6 100644 --- a/declarations/cell_data.h +++ b/declarations/cell_data.h @@ -31,6 +31,9 @@ extern struct gas_cell_data #ifdef OUTPUT_MACH_NUMBER MyDouble ISMDustChem_MachNumber; /*!< mach number used for sub-resolution density enhancements from turbulence */ #endif +#ifdef OUTPUT_SHOCK_MACH_NUMBER + MyFloat ShockMachNumber; /*!< estimated local shock Mach number from pairwise Riemann problem */ +#endif #ifdef GALSF_ISMDUSTCHEM_MODEL MyDouble ISMDustChem_Dust_Source[NUM_ISMDUSTCHEM_SOURCES]; /*!< amount of dust from each source of dust creation. 0=gas-dust accretion, 1=Sne Ia, 2=SNe II, 3=AGB */ MyDouble ISMDustChem_Dust_Metal[NUM_ISMDUSTCHEM_ELEMENTS]; /*!< metallicity (species-by-species) of dust */ diff --git a/file_io/io.cc b/file_io/io.cc index d3f3974b2..b0f01464b 100644 --- a/file_io/io.cc +++ b/file_io/io.cc @@ -625,6 +625,17 @@ void fill_write_buffer(enum iofields blocknr, int *startindex, int pc, int type) #endif break; + case IO_SHOCKMACHNUM: /* local shock Mach number from pairwise Riemann problem */ +#if defined(OUTPUT_SHOCK_MACH_NUMBER) + for(n = 0; n < pc; pindex++) + if(P[pindex].Type == type) + { + *fp++ = (MyOutputFloat) CellP[pindex].ShockMachNumber; + n++; + } +#endif + break; + case IO_DUSTCHEMGRAINBINNUMBERS: /* number of grains for each grain size bin for each dust species */ #if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) for(n = 0; n < pc; pindex++) @@ -2076,6 +2087,15 @@ int get_bytes_per_blockelement(enum iofields blocknr, int mode) #endif break; + case IO_SHOCKMACHNUM: +#if defined(OUTPUT_SHOCK_MACH_NUMBER) + if(mode) + bytes_per_blockelement = sizeof(MyInputFloat); + else + bytes_per_blockelement = sizeof(MyOutputFloat); +#endif + break; + case IO_DUSTCHEMGRAINBINNUMBERS: case IO_DUSTCHEMGRAINBINMASS: case IO_DUSTCHEMGRAINBINSLOPES: @@ -2366,6 +2386,12 @@ int get_values_per_blockelement(enum iofields blocknr) #endif break; + case IO_SHOCKMACHNUM: +#if defined(OUTPUT_SHOCK_MACH_NUMBER) + values = 1; +#endif + break; + case IO_DUSTCHEMGRAINBINNUMBERS: case IO_DUSTCHEMGRAINBINSLOPES: case IO_DUSTCHEMGRAINBINMASS: @@ -2558,6 +2584,7 @@ long get_particles_in_block(enum iofields blocknr, int *typelist) case IO_DUSTCHEMSPECIESMET: case IO_ISMDUSTCHEMMOL: case IO_MACHNUM: + case IO_SHOCKMACHNUM: case IO_DUSTCHEMGRAINBINNUMBERS: case IO_DUSTCHEMGRAINBINSLOPES: case IO_DUSTCHEMGRAINBINMASS: @@ -2788,7 +2815,13 @@ int blockpresent(enum iofields blocknr) #if defined(OUTPUT_MACH_NUMBER) return 1; #endif - break; + break; + + case IO_SHOCKMACHNUM: +#if defined(OUTPUT_SHOCK_MACH_NUMBER) + return 1; +#endif + break; case IO_CHIMES_ABUNDANCES: #if defined(CHIMES_REDUCED_OUTPUT) @@ -3399,6 +3432,9 @@ void get_Tab_IO_Label(enum iofields blocknr, char *label) case IO_MACHNUM: strncpy(label, "MACH", 4); break; + case IO_SHOCKMACHNUM: + strncpy(label, "SMAC", 4); + break; case IO_DUSTCHEMGRAINBINNUMBERS: strncpy(label, "DBNU", 4); break; @@ -3830,6 +3866,9 @@ void get_dataset_name(enum iofields blocknr, char *buf) case IO_MACHNUM: strcpy(buf, "MachNumber"); break; + case IO_SHOCKMACHNUM: + strcpy(buf, "ShockMachNumber"); + break; case IO_DUSTCHEMGRAINBINNUMBERS: strcpy(buf, "DustBinNumbers"); break; diff --git a/hydro/hydro_core_meshless.h b/hydro/hydro_core_meshless.h index c0d06ff5a..49f05b421 100644 --- a/hydro/hydro_core_meshless.h +++ b/hydro/hydro_core_meshless.h @@ -331,6 +331,44 @@ } #endif // closes adiabatic flow face correction check // +#if defined(OUTPUT_SHOCK_MACH_NUMBER) && !defined(EOS_GENERAL) + /* ----------------------------------------------------------------------- + * Shock detection via pairwise Riemann states (MFM/MFV methods only). + * Uses the Rankine-Hugoniot relation: M^2 = [(gamma+1)*pjump + (gamma-1)] / (2*gamma) + * where pjump = P_M / P_upstream. Upstream = lower-pressure (pre-shock) side. + * Riemann_vec.R comes from particle i (local); Riemann_vec.L from particle j. + * Note: Riemann_vec.L/R.p are in comoving code units while Riemann_out.P_M is + * physical, so face pressures are converted to physical units before computing pjump. + * Only active for converging flow (dv_face < 0) with a valid supersonic pressure jump. + * ----------------------------------------------------------------------- */ + { + double dv_face_phys = face_vel_i - face_vel_j; /* negative = converging flow along face normal */ + if(dv_face_phys < 0 && Riemann_out.P_M > 0) { + double cf_a3inv_fac = (All.ComovingIntegrationOn) ? All.cf_a3inv : 1.0; + double P_L_phys = Riemann_vec.L.p * cf_a3inv_fac; /* face-reconstructed pressure from j */ + double P_R_phys = Riemann_vec.R.p * cf_a3inv_fac; /* face-reconstructed pressure from i */ + if(P_L_phys > 0 && P_R_phys > 0) { + /* upstream = lower-pressure side (pre-shock gas) */ + double P_up = (P_L_phys <= P_R_phys) ? P_L_phys : P_R_phys; + double cs_up = (P_L_phys <= P_R_phys) ? kernel.sound_j : kernel.sound_i; + if(cs_up > 0) { + double pjump = Riemann_out.P_M / P_up; + if(pjump > 1.0) { + /* Rankine-Hugoniot normal Mach number */ + double gamma_eos = GAMMA_DEFAULT; + double mach2_RH = ((gamma_eos + 1.0) * pjump + (gamma_eos - 1.0)) / (2.0 * gamma_eos); + double mach_RH = (mach2_RH > 1.0) ? sqrt(mach2_RH) : 1.0; + if(mach_RH > 1.0) { + if(mach_RH > out.MaxShockMachNumber) {out.MaxShockMachNumber = (MyFloat)mach_RH;} + if(j_is_active_for_fluxes && mach_RH > CellP[j].ShockMachNumber) {CellP[j].ShockMachNumber = (MyFloat)mach_RH;} + } + } + } + } + } + } +#endif /* OUTPUT_SHOCK_MACH_NUMBER && !EOS_GENERAL */ + } else { /* nothing but bad riemann solutions found! */ memset(&Fluxes, 0, sizeof(struct Conserved_var_Riemann)); diff --git a/hydro/hydro_toplevel.cc b/hydro/hydro_toplevel.cc index 25378fae6..a4f6d4b4e 100644 --- a/hydro/hydro_toplevel.cc +++ b/hydro/hydro_toplevel.cc @@ -310,6 +310,9 @@ struct OUTPUT_STRUCT_NAME MyDouble DtInternalEnergy; //MyDouble dInternalEnergy; //manifest-indiv-timestep-debug// MyFloat MaxSignalVel; +#ifdef OUTPUT_SHOCK_MACH_NUMBER + MyFloat MaxShockMachNumber; +#endif #ifdef ENERGY_ENTROPY_SWITCH_IS_ACTIVE MyFloat MaxKineticEnergyNgb; #endif @@ -569,6 +572,9 @@ static inline void out2particle_hydra(struct OUTPUT_STRUCT_NAME *out, int i, int for(k=0;k<3;k++) {CellP[i].GravWorkTerm[k] += out->GravWorkTerm[k];} #endif if(CellP[i].MaxSignalVel < out->MaxSignalVel) {CellP[i].MaxSignalVel = out->MaxSignalVel;} +#ifdef OUTPUT_SHOCK_MACH_NUMBER + if(CellP[i].ShockMachNumber < out->MaxShockMachNumber) {CellP[i].ShockMachNumber = out->MaxShockMachNumber;} +#endif #ifdef ENERGY_ENTROPY_SWITCH_IS_ACTIVE if(CellP[i].MaxKineticEnergyNgb < out->MaxKineticEnergyNgb) {CellP[i].MaxKineticEnergyNgb = out->MaxKineticEnergyNgb;} #endif @@ -952,6 +958,9 @@ void hydro_force_initial_operations_preloop(void) if(P[i].Type==0) { CellP[i].MaxSignalVel = MIN_REAL_NUMBER; +#ifdef OUTPUT_SHOCK_MACH_NUMBER + CellP[i].ShockMachNumber = 0; +#endif #ifdef ENERGY_ENTROPY_SWITCH_IS_ACTIVE CellP[i].MaxKineticEnergyNgb = MIN_REAL_NUMBER; #endif From b7a18483ca357f1026c6c99114505adb540a23c2 Mon Sep 17 00:00:00 2001 From: Caleb Choban Date: Mon, 30 Mar 2026 12:49:05 -0400 Subject: [PATCH 83/90] Removed extra dust evo ouputs that are no longer needed. Added BigRed200 to Makefile. --- Makefile.systype | 1 + declarations/allvars.h | 3 -- declarations/cell_data.h | 2 - file_io/io.cc | 89 ------------------------------------ file_io/read_ic.cc | 6 --- solids/ism_dust_chemistry.cc | 28 +++--------- 6 files changed, 8 insertions(+), 121 deletions(-) diff --git a/Makefile.systype b/Makefile.systype index fd294882e..801e9e870 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -12,3 +12,4 @@ SYSTYPE="github-ubuntu" #SYSTYPE="Expanse" #SYSTYPE="CaltechHPC" #SYSTYPE="RUSTY" +#SYSTYPE="BigRed200" diff --git a/declarations/allvars.h b/declarations/allvars.h index 01e07ad50..5a931b7ee 100644 --- a/declarations/allvars.h +++ b/declarations/allvars.h @@ -1246,10 +1246,7 @@ enum iofields IO_ISMDUSTCHEMMOL, IO_MACHNUM, IO_DUSTCHEMGRAINBINNUMBERS, - IO_DUSTCHEMGRAINBINSLOPES, IO_DUSTCHEMGRAINBINMASS, - IO_DUSTCHEM_COAG_MASSRATE, - IO_DUSTCHEM_SHAT_MASSRATE, IO_SINKMASS, IO_SINKMASSALPHA, IO_SINK_ANGMOM, diff --git a/declarations/cell_data.h b/declarations/cell_data.h index 4ab7e8ee6..368d947a8 100644 --- a/declarations/cell_data.h +++ b/declarations/cell_data.h @@ -47,8 +47,6 @@ extern struct gas_cell_data #ifdef GALSF_ISMDUSTCHEM_GRAINSIZEEVO MyDouble ISMDustChem_Dust_NumberInBin[NUM_ISMDUSTCHEM_SPECIES][NUM_ISMDUSTCHEM_SIZE_BINS]; MyDouble ISMDustChem_Dust_SlopeInBin[NUM_ISMDUSTCHEM_SPECIES][NUM_ISMDUSTCHEM_SIZE_BINS]; - MyDouble ISMDustChem_Coag_dMdt[NUM_ISMDUSTCHEM_SPECIES][NUM_ISMDUSTCHEM_SIZE_BINS]; /*!< shattering mass rate for each dust species and size bin */ - MyDouble ISMDustChem_Shat_dMdt[NUM_ISMDUSTCHEM_SPECIES][NUM_ISMDUSTCHEM_SIZE_BINS]; /*!< shattering mass rate for each dust species and size bin */ #else MyDouble ISMDustChem_C_in_CO; /*!< C metallicity locked in CO */ MyDouble ISMDustChem_MassFractionInDenseMolecular; /*!< mass fraction of gas in dense MC phase */ diff --git a/file_io/io.cc b/file_io/io.cc index b0f01464b..87c814c2c 100644 --- a/file_io/io.cc +++ b/file_io/io.cc @@ -653,23 +653,6 @@ void fill_write_buffer(enum iofields blocknr, int *startindex, int pc, int type) #endif break; - case IO_DUSTCHEMGRAINBINSLOPES: /* slopes for each grain size bin for each dust species */ -#if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) - for(n = 0; n < pc; pindex++) - if(P[pindex].Type == type) - { - int k1, k2; - for(k1=0;k1 Date: Wed, 1 Apr 2026 15:19:45 -0400 Subject: [PATCH 84/90] Reworked coagulation/shattering routine to reduce unnecessary computations and added precomputing polynomial coefficients. --- core/proto.h | 5 +- declarations/allvars.h | 4 ++ solids/ism_dust_chemistry.cc | 118 ++++++++++++++++++++++++----------- 3 files changed, 88 insertions(+), 39 deletions(-) diff --git a/core/proto.h b/core/proto.h index 78c72cd88..68f9f67f2 100644 --- a/core/proto.h +++ b/core/proto.h @@ -600,7 +600,10 @@ void ISMDustChemEvo_get_wind_dust_grain_size_yields(double *yields, double Msne) void ISMDustChemEvo_update_bins_given_grain_size_change(int i, int j, double *bin_da, double mass_limit); void update_dust_shattering_and_coagulation(int i, double dtime_gyr, double temp, double rho); void update_dust_photodestruction(int i, double dtime_gyr); -double shattering_coagulation_polynomial(int i, int spec_indx, int bin_i, int bin_j); +// double shattering_coagulation_polynomial(int i, int spec_indx, int bin_i, int bin_j); +void ISMDustChemEvo_precompute_poly_coeffs(void); +double ISMDustChemEvo_fast_shat_coag_poly(int i, int spec_indx, int bin_i, int bin_j); +double ISMDustChemEvo_explicit_shat_coag_poly(double ail, double aiu, double aic, double ajl, double aju, double ajc, double Ni, double si, double Nj, double sj); void ISMDustChemEvo_update_bins_given_mass_change(int i, int j, double *bin_dM, double bulk_dens); void ISMDustChemEvo_get_new_bin_N_and_slope_given_mass_change(double *bin_dM, double *bin_M, double *bin_N, double *bin_slope, double *new_bin_N, double *new_bin_slope, double bulk_dens); void ISMDustChem_SNe_sputtering_step(int spec_indx, double *init_bin_N, double *init_bin_slope, double *init_bin_M, double *final_bin_N, double *final_bin_slope, double *final_bin_M, double bulk_dens); diff --git a/declarations/allvars.h b/declarations/allvars.h index 5a931b7ee..e6ecf9624 100644 --- a/declarations/allvars.h +++ b/declarations/allvars.h @@ -823,6 +823,10 @@ extern struct global_data_all_processes double ISMDustChem_GrainBinSize; /* bin width of logarithmically spaced grain sizes */ double ISMDustChem_GrainBinEdges[NUM_ISMDUSTCHEM_SIZE_BINS+1]; /* edges of each grain size bin */ double ISMDustChem_GrainBinCenters[NUM_ISMDUSTCHEM_SIZE_BINS]; /* centers of each grain size bin in log space */ + double ISMDustChem_C_NiNj[NUM_ISMDUSTCHEM_SIZE_BINS][NUM_ISMDUSTCHEM_SIZE_BINS]; /* pre-computed coefficients for coagulation/shattering polynomial */ + double ISMDustChem_C_Njsi[NUM_ISMDUSTCHEM_SIZE_BINS][NUM_ISMDUSTCHEM_SIZE_BINS]; + double ISMDustChem_C_Nisj[NUM_ISMDUSTCHEM_SIZE_BINS][NUM_ISMDUSTCHEM_SIZE_BINS]; + double ISMDustChem_C_sisj[NUM_ISMDUSTCHEM_SIZE_BINS][NUM_ISMDUSTCHEM_SIZE_BINS]; #endif #endif diff --git a/solids/ism_dust_chemistry.cc b/solids/ism_dust_chemistry.cc index eb58b980b..ff8d418d4 100644 --- a/solids/ism_dust_chemistry.cc +++ b/solids/ism_dust_chemistry.cc @@ -110,6 +110,7 @@ void Initialize_ISMDustChem_Global_Variables() All.ISMDustChem_GrainBinSize = pow(10,log10(All.ISMDustChem_Grain_Size_Max/All.ISMDustChem_Grain_Size_Min)/NUM_ISMDUSTCHEM_SIZE_BINS); for(j=0;j vshat) {mlost_shat += All.ISMDustChem_ShatteringScaling * vikrel * shattering_coagulation_polynomial(i, k, bin_i, bin_k);} - vcoag = All.ISMDustChem_VCoagScaling * 10 * 2.14 * sqrt((aicenter*aicenter*aicenter + akcenter*akcenter*akcenter)/pow(aicenter+akcenter,3))*pow(gamma,5./6.)/(pow((E_young/(2*(1-nu_poisson)*(1-nu_poisson))),1./3.)*pow(aicenter*akcenter/(aicenter + akcenter),5./6.)*sqrt(bulk_dens)); // cm/s - if (vcoag > vshat) vcoag = vshat; // Rare cases where coagualation threshold is higher than shattering threshold + if (vikrel > vshat) {mlost_shat += All.ISMDustChem_ShatteringScaling * vikrel * poly[bin_i][bin_k];} + // vcoag = All.ISMDustChem_VCoagScaling * 10 * 2.14 * sqrt((aicenter*aicenter*aicenter + akcenter*akcenter*akcenter)/pow(aicenter+akcenter,3))*pow(gamma,5./6.)/(pow((E_young/(2*(1-nu_poisson)*(1-nu_poisson))),1./3.)*pow(aicenter*akcenter/(aicenter + akcenter),5./6.)*sqrt(bulk_dens)); // cm/s + // if (vcoag > vshat) vcoag = vshat; // Rare cases where coagualation threshold is higher than shattering threshold // Mass lost from bin i due to coagulating collisions with grains in bin k - if (vikrel <= vcoag) {mlost_coag += All.ISMDustChem_CoagulationScaling * (vikrel) * shattering_coagulation_polynomial(i, k, bin_i, bin_k);} + else if (vikrel <= vikcoag) {mlost_coag += All.ISMDustChem_CoagulationScaling * (vikrel) * poly[bin_i][bin_k];} for (bin_j=0;bin_j ailower && aremnant <= aiupper) {mkj_shat += mremnant;} } - mgained_shat += All.ISMDustChem_ShatteringScaling * vkjrel * mkj_shat * shattering_coagulation_polynomial(i, k, bin_k, bin_j); + mgained_shat += All.ISMDustChem_ShatteringScaling * vkjrel * mkj_shat * poly[bin_k][bin_j]; } - vcoag = All.ISMDustChem_VCoagScaling * 10 * 2.14 * sqrt((akcenter*akcenter*akcenter + ajcenter*ajcenter*ajcenter)/pow(akcenter+ajcenter,3))*pow(gamma,5./6.)/(pow((E_young/(2*(1-nu_poisson)*(1-nu_poisson))),1./3.)*pow(akcenter*ajcenter/(akcenter + ajcenter),5./6.)*sqrt(bulk_dens)); // cm/s - if (vcoag > vshat) vcoag = vshat; // Rare cases where coagualation threshold is higher than shattering threshold + // vcoag = All.ISMDustChem_VCoagScaling * 10 * 2.14 * sqrt((akcenter*akcenter*akcenter + ajcenter*ajcenter*ajcenter)/pow(akcenter+ajcenter,3))*pow(gamma,5./6.)/(pow((E_young/(2*(1-nu_poisson)*(1-nu_poisson))),1./3.)*pow(akcenter*ajcenter/(akcenter + ajcenter),5./6.)*sqrt(bulk_dens)); // cm/s + // if (vcoag > vshat) vcoag = vshat; // Rare cases where coagualation threshold is higher than shattering threshold // Mass gained in bin i due to coagulating collisions between grains in bin k and bin j producing aggregate grains - if (vkjrel <= vcoag) { + else if (vkjrel <= vkjcoag) { aaggregate = pow((mk + mj)/(4*M_PI/3*bulk_dens),1./3.); if (aaggregate < aiupper && aaggregate >= ailower) {mkj_coag = (mk + mj)/2;} // Counted twice so divide by 2 else {mkj_coag = 0;} - mgained_coag += All.ISMDustChem_CoagulationScaling * (vkjrel) * mkj_coag * shattering_coagulation_polynomial(i, k, bin_k, bin_j); + mgained_coag += All.ISMDustChem_CoagulationScaling * (vkjrel) * mkj_coag * poly[bin_k][bin_j]; } } } @@ -2105,40 +2117,70 @@ void ISMDustChemEvo_update_bins_given_mass_change(int i, int j, double *bin_dM, } -/* Returns solution from polynomial function used to update size bins for coagulation and shattering routines*/ -double shattering_coagulation_polynomial(int i, int spec_indx, int bin_i, int bin_j) +/* Returns explicit solution from polynomial function used for coagulation and shattering routines */ +double ISMDustChemEvo_explicit_shat_coag_poly(double ail, double aiu, double aic, + double ajl, double aju, double ajc, + double Ni, double si, + double Nj, double sj) { - double Ni, Nj, si, sj, ail, aiu, aic, ajl, aju, ajc, Iij; - ail = All.ISMDustChem_GrainBinEdges[bin_i], aiu = All.ISMDustChem_GrainBinEdges[bin_i+1]; aic = All.ISMDustChem_GrainBinCenters[bin_i]; - ajl = All.ISMDustChem_GrainBinEdges[bin_j], aju = All.ISMDustChem_GrainBinEdges[bin_j+1]; ajc = All.ISMDustChem_GrainBinCenters[bin_j]; - Ni = CellP[i].ISMDustChem_Dust_NumberInBin[spec_indx][bin_i]; si = CellP[i].ISMDustChem_Dust_SlopeInBin[spec_indx][bin_i]; - Nj = CellP[i].ISMDustChem_Dust_NumberInBin[spec_indx][bin_j]; sj = CellP[i].ISMDustChem_Dust_SlopeInBin[spec_indx][bin_j]; - /* Interaction rate between grains of bin_i and bin_j. - An ugly polynomial but it's analytically solvable */ - Iij = (12*(2*aiu*aiu + 3*aiu*(ajl + aju) + 2*(ajl*ajl + ajl*aju + aju*aju))*Ni*Nj + - 6*aiu*(-2*aic*(2*aiu*aiu + 3*aiu*(ajl + aju) + 2*(ajl*ajl + ajl*aju + aju*aju)) + - aiu*(3*aiu*aiu + 4*aiu*(ajl + aju) + 2*(ajl*ajl + ajl*aju + aju*aju)))*Nj*si + - 6*(-3*ajl*ajl*ajl*ajl + 2*aiu*aiu*(2*ajc - ajl - aju)*(ajl - aju) + 3*aju*aju*aju*aju + 4*ajc*(ajl*ajl*ajl - aju*aju*aju) + - aiu*(-4*ajl*ajl*ajl + 4*aju*aju*aju + 6*ajc*(ajl - aju)*(ajl + aju)))*Ni*sj + - aiu*(-6*aic*(ajl*(4*aiu*aiu*ajc - 2*aiu*(aiu - 3*ajc)*ajl + 4*(-aiu + ajc)*ajl*ajl - 3*ajl*ajl*ajl) - - 4*aiu*aiu*ajc*aju + 2*aiu*(aiu - 3*ajc)*aju*aju + 4*(aiu - ajc)*aju*aju*aju + 3*aju*aju*aju*aju) + - aiu*(-9*ajl*ajl*ajl*ajl + 9*aiu*aiu*(2*ajc - ajl - aju)*(ajl - aju) + 9*aju*aju*aju*aju + + return (12*(2*aiu*aiu + 3*aiu*(ajl + aju) + 2*(ajl*ajl + ajl*aju + aju*aju))*Ni*Nj + + 6*aiu*(-2*aic*(2*aiu*aiu + 3*aiu*(ajl + aju) + 2*(ajl*ajl + ajl*aju + aju*aju)) + + aiu*(3*aiu*aiu + 4*aiu*(ajl + aju) + 2*(ajl*ajl + ajl*aju + aju*aju)))*Nj*si + + 6*(-3*ajl*ajl*ajl*ajl + 2*aiu*aiu*(2*ajc - ajl - aju)*(ajl - aju) + 3*aju*aju*aju*aju + 4*ajc*(ajl*ajl*ajl - aju*aju*aju) + + aiu*(-4*ajl*ajl*ajl + 4*aju*aju*aju + 6*ajc*(ajl - aju)*(ajl + aju)))*Ni*sj + + aiu*(-6*aic*(ajl*(4*aiu*aiu*ajc - 2*aiu*(aiu - 3*ajc)*ajl + 4*(-aiu + ajc)*ajl*ajl - 3*ajl*ajl*ajl) - + 4*aiu*aiu*ajc*aju + 2*aiu*(aiu - 3*ajc)*aju*aju + 4*(aiu - ajc)*aju*aju*aju + 3*aju*aju*aju*aju) + + aiu*(-9*ajl*ajl*ajl*ajl + 9*aiu*aiu*(2*ajc - ajl - aju)*(ajl - aju) + 9*aju*aju*aju*aju + 12*ajc*(ajl*ajl*ajl - aju*aju*aju) + 8*aiu*(-2*ajl*ajl*ajl + 2*aju*aju*aju + 3*ajc*(ajl - aju)*(ajl + aju))))*si*sj - - 9*ail*ail*ail*ail*si*(2*Nj + (2*ajc - ajl - aju)*(ajl - aju)*sj) + + - 9*ail*ail*ail*ail*si*(2*Nj + (2*ajc - ajl - aju)*(ajl - aju)*sj) + 4*ail*ail*ail*si*(6*(aic - ajl - aju)*Nj + (ajl - aju)* - (6*aic*ajc - 3*aic*(ajl + aju) - 6*ajc*(ajl + aju) + 4*(ajl*ajl + ajl*aju + aju*aju))*sj) + - 6*ail*(ajl*(6*Ni*Nj + 4*aic*aju*Nj*si) - 3*aic*ajl*ajl*ajl*ajl*si*sj - 4*ajl*ajl*ajl*(Ni - aic*ajc*si)*sj + - 2*aiu*Ni*(2*Nj + (2*ajc - ajl - aju)*(ajl - aju)*sj) + ajl*ajl*(4*aic*Nj*si + 6*ajc*Ni*sj) + - aju*(6*Ni*Nj + 4*aic*aju*Nj*si + aju*(-6*ajc*Ni + 4*aju*Ni - 4*aic*ajc*aju*si + 3*aic*aju*aju*si)*sj)) + - 3*ail*ail*(8*Ni*Nj + 4*(2*ajc - ajl - aju)*(ajl - aju)*Ni*sj + - si*(-4*ajl*ajl*Nj - 4*ajl*aju*Nj - 4*ajc*ajl*ajl*ajl*sj + 3*ajl*ajl*ajl*ajl*sj + - aju*aju*(-4*Nj + (4*ajc - 3*aju)*aju*sj) + + (6*aic*ajc - 3*aic*(ajl + aju) - 6*ajc*(ajl + aju) + 4*(ajl*ajl + ajl*aju + aju*aju))*sj) + + 6*ail*(ajl*(6*Ni*Nj + 4*aic*aju*Nj*si) - 3*aic*ajl*ajl*ajl*ajl*si*sj - 4*ajl*ajl*ajl*(Ni - aic*ajc*si)*sj + + 2*aiu*Ni*(2*Nj + (2*ajc - ajl - aju)*(ajl - aju)*sj) + ajl*ajl*(4*aic*Nj*si + 6*ajc*Ni*sj) + + aju*(6*Ni*Nj + 4*aic*aju*Nj*si + aju*(-6*ajc*Ni + 4*aju*Ni - 4*aic*ajc*aju*si + 3*aic*aju*aju*si)*sj)) + + 3*ail*ail*(8*Ni*Nj + 4*(2*ajc - ajl - aju)*(ajl - aju)*Ni*sj + + si*(-4*ajl*ajl*Nj - 4*ajl*aju*Nj - 4*ajc*ajl*ajl*ajl*sj + 3*ajl*ajl*ajl*ajl*sj + + aju*aju*(-4*Nj + (4*ajc - 3*aju)*aju*sj) + 4*aic*(3*ajl*Nj + 3*ajc*ajl*ajl*sj - 2*ajl*ajl*ajl*sj + aju*(3*Nj + aju*(-3*ajc + 2*aju)*sj)))))/72.; +} - return DMAX(0,Iij); // Limit to 0 to avoid negative values due to rounding errors + +/* Precompute coag/shat polynomial coefficients since these only depend on grain bin parameters. */ +void ISMDustChemEvo_precompute_poly_coeffs(void) +{ + int bin_i, bin_j; + for (bin_i = 0; bin_i < NUM_ISMDUSTCHEM_SIZE_BINS; bin_i++) { + double ail = All.ISMDustChem_GrainBinEdges[bin_i]; + double aiu = All.ISMDustChem_GrainBinEdges[bin_i+1]; + double aic = All.ISMDustChem_GrainBinCenters[bin_i]; + for (bin_j = 0; bin_j < NUM_ISMDUSTCHEM_SIZE_BINS; bin_j++) { + double ajl = All.ISMDustChem_GrainBinEdges[bin_j]; + double aju = All.ISMDustChem_GrainBinEdges[bin_j+1]; + double ajc = All.ISMDustChem_GrainBinCenters[bin_j]; + /* Extract each coefficient by evaluating with the corresponding unit vector. + * Since I = C_NN*Ni*Nj + C_Nsi*si*Nj + C_Nisj*Ni*sj + C_sisj*si*sj: */ + All.ISMDustChem_C_NiNj[bin_i][bin_j] = ISMDustChemEvo_explicit_shat_coag_poly(ail,aiu,aic, ajl,aju,ajc, 1,0, 1,0); + All.ISMDustChem_C_Njsi[bin_i][bin_j] = ISMDustChemEvo_explicit_shat_coag_poly(ail,aiu,aic, ajl,aju,ajc, 0,1, 1,0); + All.ISMDustChem_C_Nisj[bin_i][bin_j] = ISMDustChemEvo_explicit_shat_coag_poly(ail,aiu,aic, ajl,aju,ajc, 1,0, 0,1); + All.ISMDustChem_C_sisj[bin_i][bin_j] = ISMDustChemEvo_explicit_shat_coag_poly(ail,aiu,aic, ajl,aju,ajc, 0,1, 0,1); + } + } +} + +/* Fast polynomial evaluation used for coagulation and shattering routines */ +double ISMDustChemEvo_fast_shat_coag_poly(int i, int spec_indx, int bin_i, int bin_j) +{ + double Ni = CellP[i].ISMDustChem_Dust_NumberInBin[spec_indx][bin_i]; + double si = CellP[i].ISMDustChem_Dust_SlopeInBin [spec_indx][bin_i]; + double Nj = CellP[i].ISMDustChem_Dust_NumberInBin[spec_indx][bin_j]; + double sj = CellP[i].ISMDustChem_Dust_SlopeInBin [spec_indx][bin_j]; + return DMAX(0, All.ISMDustChem_C_NiNj[bin_i][bin_j]*Ni*Nj + All.ISMDustChem_C_Njsi[bin_i][bin_j]*si*Nj + + All.ISMDustChem_C_Nisj[bin_i][bin_j]*Ni*sj + All.ISMDustChem_C_sisj[bin_i][bin_j]*si*sj); // Limit to 0 to avoid negative values due to rounding errors } + + // Determines the new bin numbers and slopes given bin mass changes due shattering or coagulation. void ISMDustChemEvo_get_new_bin_N_and_slope_given_mass_change(double *bin_dM, double *bin_M, double *bin_N, double *bin_slope, double *new_bin_N, double *new_bin_slope, double bulk_dens) { From b30b3f75381f9235bbce7ec86992686d32219f5b Mon Sep 17 00:00:00 2001 From: Caleb Choban Date: Wed, 1 Apr 2026 18:50:16 -0400 Subject: [PATCH 85/90] Small speedups to grain size routines and fixed bug with integer division. --- solids/ism_dust_chemistry.cc | 35 ++++++++++++++++------------------- 1 file changed, 16 insertions(+), 19 deletions(-) diff --git a/solids/ism_dust_chemistry.cc b/solids/ism_dust_chemistry.cc index ff8d418d4..4b4164558 100644 --- a/solids/ism_dust_chemistry.cc +++ b/solids/ism_dust_chemistry.cc @@ -1471,9 +1471,10 @@ void update_dust_sputtering(int i, double dtime_gyr, double temp, double rho) // Sputtering erosion rates (change in grain size per nH) for silicates, carbonaceous, and metallic iron dust from polynomial fits to Nozawa+(2006). Y=(da/dt)/nH (um/yr cm^3) // This is the change in grain radius over time which is independant of grain size. - carbSput = pow(10,-226.85 + 133.44*logt - 32.572*pow(logt,2) + 4.0057*pow(logt,3) - 0.24747*pow(logt,4) + 0.0061212*pow(logt,5)); - silSput = pow(10,-226.95 + 127.94*logt - 29.920*pow(logt,2) + 3.5354*pow(logt,3) - 0.21055*pow(logt,4) + 0.0050362*pow(logt,5)); - ironSput = pow(10,-156.88 + 82.110*logt - 18.238*pow(logt,2) + 2.0692*pow(logt,3) - 0.11933*pow(logt,4) + 0.0027788*pow(logt,5)); + double logt2 = logt*logt, logt3 = logt2*logt, logt4 = logt3*logt, logt5 = logt4*logt; + carbSput = pow(10,-226.85 + 133.44*logt - 32.572*logt2 + 4.0057*logt3 - 0.24747*logt4 + 0.0061212*logt5); + silSput = pow(10,-226.95 + 127.94*logt - 29.920*logt2 + 3.5354*logt3 - 0.21055*logt4 + 0.0050362*logt5); + ironSput = pow(10,-156.88 + 82.110*logt - 18.238*logt2 + 2.0692*logt3 - 0.11933*logt4 + 0.0027788*logt5); for(k=0;k vshat) {mlost_shat += All.ISMDustChem_ShatteringScaling * vikrel * poly[bin_i][bin_k];} - // vcoag = All.ISMDustChem_VCoagScaling * 10 * 2.14 * sqrt((aicenter*aicenter*aicenter + akcenter*akcenter*akcenter)/pow(aicenter+akcenter,3))*pow(gamma,5./6.)/(pow((E_young/(2*(1-nu_poisson)*(1-nu_poisson))),1./3.)*pow(aicenter*akcenter/(aicenter + akcenter),5./6.)*sqrt(bulk_dens)); // cm/s - // if (vcoag > vshat) vcoag = vshat; // Rare cases where coagualation threshold is higher than shattering threshold // Mass lost from bin i due to coagulating collisions with grains in bin k else if (vikrel <= vikcoag) {mlost_coag += All.ISMDustChem_CoagulationScaling * (vikrel) * poly[bin_i][bin_k];} for (bin_j=0;bin_j ailower && aremnant <= aiupper) {mkj_shat += mremnant;} } mgained_shat += All.ISMDustChem_ShatteringScaling * vkjrel * mkj_shat * poly[bin_k][bin_j]; } - // vcoag = All.ISMDustChem_VCoagScaling * 10 * 2.14 * sqrt((akcenter*akcenter*akcenter + ajcenter*ajcenter*ajcenter)/pow(akcenter+ajcenter,3))*pow(gamma,5./6.)/(pow((E_young/(2*(1-nu_poisson)*(1-nu_poisson))),1./3.)*pow(akcenter*ajcenter/(akcenter + ajcenter),5./6.)*sqrt(bulk_dens)); // cm/s - // if (vcoag > vshat) vcoag = vshat; // Rare cases where coagualation threshold is higher than shattering threshold // Mass gained in bin i due to coagulating collisions between grains in bin k and bin j producing aggregate grains else if (vkjrel <= vkjcoag) { - aaggregate = pow((mk + mj)/(4*M_PI/3*bulk_dens),1./3.); + aaggregate = pow((mk + mj)/(4.*M_PI/3.*bulk_dens),1./3.); if (aaggregate < aiupper && aaggregate >= ailower) {mkj_coag = (mk + mj)/2;} // Counted twice so divide by 2 else {mkj_coag = 0;} mgained_coag += All.ISMDustChem_CoagulationScaling * (vkjrel) * mkj_coag * poly[bin_k][bin_j]; @@ -2062,7 +2059,7 @@ void ISMDustChemEvo_update_bins_given_grain_size_change(int i, int j, double *bi } else {avg_size = 0;} // 2: number of grains to be rebinned by shrinking grains to the max grain size but conserving mass - rebinned_number = new_bin_masses[l+1]/(4/3*M_PI*bulk_dens*pow(m_high_edge,3)); + rebinned_number = new_bin_masses[l+1]/(4./3.*M_PI*bulk_dens*pow(m_high_edge,3)); // 3: new average grain size in last bin after shrinking rebinned grains new_avg_size = (last_bin_num*avg_size + rebinned_number*m_high_edge) / (last_bin_num + rebinned_number); // 4: new total mass after we shift all excess mass back into last bin From 47fa528da1d92dc7ef0125d3b271ad67a22fd409 Mon Sep 17 00:00:00 2001 From: Caleb Choban Date: Thu, 2 Apr 2026 18:33:42 -0400 Subject: [PATCH 86/90] Refactored grain evolution model. Config options are reduced and simplified and old Elemental model has been removed. --- Template_Config.sh | 33 +- core/proto.h | 3 - declarations/allvars.h | 11 +- declarations/cell_data.h | 4 +- declarations/precompiler_logic.h | 32 +- file_io/io.cc | 8 +- file_io/read_ic.cc | 2 +- mesh/merge_split.cc | 2 +- solids/ism_dust_chemistry.cc | 515 +++++++++---------------------- 9 files changed, 176 insertions(+), 434 deletions(-) diff --git a/Template_Config.sh b/Template_Config.sh index 68c36807d..a92e5873d 100644 --- a/Template_Config.sh +++ b/Template_Config.sh @@ -591,6 +591,22 @@ #ALLOW_IMBALANCED_GASPARTICLELOAD # increases All.MaxPartGas to All.MaxPart: can allow better load-balancing in some cases, but uses more memory. But use me if you run into errors where it can't fit the domain (where you would increase PartAllocFac, but can't for some reason) #################################################################################################### +############################################################################################################################- +#------------------ ISM Dust Chemical Evolution Models (follow growth, destruction, and size evolution of different grain species) +#----------------- Users of any of these modules should cite Choban et al., 2022/25 for the methods/implementation in GIZMO and FIRE +############################################################################################################################- +#GALSF_ISMDUSTCHEM_MODEL=(1+2) #- enable live dust evolution model (value deteremines the dust species tracked). Use GALSF_ISMDUSTCHEM_SILICATE_COMPOSITION to set the silicate composition. + #- model = 1: Track silicates and carbonaceous dust. + #- model = 2: Track metallic iron dust. + #- model = 4: Track oxygen bearing dust species which is a simple match to observations of MW oxygen depletion. + #- model = 8: Track metallic iron nanoparticles with set fraction assumed to be locked in silicate dust as inclusions based on Zhukovska+(2018). Requires GALSF_ISMDUSTCHEM_MODEL=2. +#GALSF_ISMDUSTCHEM_SILICATE_COMPOSITION=(1+2+8) #- set the silicate dust chemical composition. This changes the production, growth, and destruction rates of silicate dust, and the max depletions of Mg, Fe, Si, and O in the gas phase. + #- model = 1 (default): olivine-pyroxene mix [(Fe_0.571 Mg_1.06) Si O_3.63] + #- model = 2: add 2 extra O atoms to better match O depletions. + #- model = 4: add 1 extra Fe atom to better match Fe depletions. + #- model = 8: remove all Fe. Use with additional metallic iron species to avoid Fe limiting silicate growth. +#GALSF_ISMDUSTCHEM_GRAINSIZEEVO=16 #- enable grain size evolution model w/ N number of logarithmically spaced bins (must also turn on GALSF_ISMDUSTCHEM_MODEL= 1 or (1 + 2) only and GALSF_ISMDUSTCHEM_SILICATE_COMPOSITION) +############################################################################################################################- @@ -615,19 +631,4 @@ #USE_TIMESTEP_DILATION_FOR_ZOOMS #- enable time dilation modules, need to customize for applications, cannot be simply generically turned on without coding how they will work #DILATION_FOR_STELLAR_KINEMATICS_ONLY #- special version of time dilation designed for stellar kinematics in e.g. dense star clusters or galaxy centers #SINK_RIAF_SUBEDDINGTON_MODEL=(0.01) #- enable an arbitrary modular variation in the radiative efficiency of BHs as a function of eddington ratio or other particle properties, with the critical transition to the jet mode at this eddington ratio (defined in terms of mdot/mdot_crit) -####################################################################################################- - -############################################################################################################################- -#------------------ ISM Dust Chemical Evolution Models (follow growth, destruction, and size evolution of different grain types) -#----------------- Users of any of these modules should cite Choban et al., 2022/25 for the methods/implementation in GIZMO and FIRE -############################################################################################################################- -#GALSF_ISMDUSTCHEM_MODEL=(2+4+8) #- enable live dust evolution model (must select either elemental or species or other model codes as well) - #- model = 1: "dust by element" dust evolution model based off Bekki(2013)/McKinnon+(2016). Track generalized silicates and carbonaceous dust. - #- model = 2: "dust by species" dust evolution model based off Zhukovska+(2008/2016/2018). Tracks silicates (set composition), carbonaceous, SiC, and metallic iron dust along with optional iron nanoparticles and/or O reservoir dust species. - #- model = 4: additional metallic iron dust nano-particles with set fraction assumed to be locked in silicate dust as inclusions based on Zhukovska+(2018) - #- model = 8: additional oxygen bearing dust species which is a simple match to observations of MW oxygen depletion since they cannot be explained with purely silicate dust - #- model = 16: modified "dust by species" model to be used with GALSF_ISMDUSTCHEM_GRAINSIZEEVO. Tracks size evolution of silicates (set composition), carbonaceous, and metallic iron - #- model = 32: modified "dust by species" model to be used with GALSF_ISMDUSTCHEM_GRAINSIZEEVO. Tracks size evolution of silicates w/ extra O and Fe (set composition) and carbonaceous -#GALSF_ISMDUSTCHEM_GRAINSIZEEVO=16 #- enable grain size evolution model w/ N number of logarithmically spaced bins (must also turn on GALSF_ISMDUSTCHEM_MODEL= 2 + (16 or 32) only) -############################################################################################################################- - +####################################################################################################- \ No newline at end of file diff --git a/core/proto.h b/core/proto.h index 68f9f67f2..741a203fd 100644 --- a/core/proto.h +++ b/core/proto.h @@ -589,7 +589,6 @@ void ISMDustChem_get_elem_yields_from_species_yields(double *dust_yields, double void ISMDustChem_get_species_key_elem(int spec_indx, double *dust_metallicity, int *key_elem, double *key_num_atoms, double *key_mass); void ISMDustChem_get_species_properties(int spec_indx, double *dust_atomic_weight, double *bulk_dens); void ISMDustChemEvo_renormalize_dust_fields(int i); -void check_dust_fields(int i, int update_process); #if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) void Initialize_ISMDustChemEvo_Particle_Variables(int i); double get_ISMDustChemEvo_bin_mass(int i, int j, int k); @@ -600,7 +599,6 @@ void ISMDustChemEvo_get_wind_dust_grain_size_yields(double *yields, double Msne) void ISMDustChemEvo_update_bins_given_grain_size_change(int i, int j, double *bin_da, double mass_limit); void update_dust_shattering_and_coagulation(int i, double dtime_gyr, double temp, double rho); void update_dust_photodestruction(int i, double dtime_gyr); -// double shattering_coagulation_polynomial(int i, int spec_indx, int bin_i, int bin_j); void ISMDustChemEvo_precompute_poly_coeffs(void); double ISMDustChemEvo_fast_shat_coag_poly(int i, int spec_indx, int bin_i, int bin_j); double ISMDustChemEvo_explicit_shat_coag_poly(double ail, double aiu, double aic, double ajl, double aju, double ajc, double Ni, double si, double Nj, double sj); @@ -609,7 +607,6 @@ void ISMDustChemEvo_get_new_bin_N_and_slope_given_mass_change(double *bin_dM, do void ISMDustChem_SNe_sputtering_step(int spec_indx, double *init_bin_N, double *init_bin_slope, double *init_bin_M, double *final_bin_N, double *final_bin_slope, double *final_bin_M, double bulk_dens); void ISMDustChem_SNe_shattering_step(int spec_indx, double *init_bin_N, double *init_bin_slope, double *init_bin_M, double *final_bin_N, double *final_bin_slope, double *final_bin_M, double bulk_dens); // Below functions only for debugging -void ISMDustChemEvo_check_Z_injected(int i, double m0, double mf, double *Z_injected); void ISMDustChemEvo_check_bins_after_update(int i, int update_process, double mass); void ISMDustChemEvo_check_yields_before_update(double *bin_nums, double *bin_slopes, double *bin_masses, int yields_process, int species_num, double total_mass); #endif diff --git a/declarations/allvars.h b/declarations/allvars.h index e6ecf9624..4ee224006 100644 --- a/declarations/allvars.h +++ b/declarations/allvars.h @@ -785,8 +785,8 @@ extern struct global_data_all_processes double Initial_ISMDustChem_SiliconToCarbonRatio; /* sets rough mass ratio between silicates are carbonaceous dust for given initial depletion */ double ISMDustChem_AtomicMassTable[NUM_ISMDUSTCHEM_ELEMENTS]; /* atomic mass for each element in metallicity field */ double ISMDustChem_SNeSputteringShutOffTime; /* amount of time to turn off thermal sputtering after SNe event to avoid double counting dust destruction */ - int ISMDustChem_SilicateMetallicityFieldIndexTable[GALSF_ISMDUSTCHEM_VAR_ELEM_IN_SILICATES]; /* index in metallicity field for elements which make up silicate dust (O, Mg, Si, and possibly Fe) */ - double ISMDustChem_SilicateNumberOfAtomsTable[GALSF_ISMDUSTCHEM_VAR_ELEM_IN_SILICATES]; /* number of O, Mg, Si, and possibly Fe in one formula unit of silicate dust */ + int ISMDustChem_SilicateMetallicityFieldIndexTable[GALSF_ISMDUSTCHEM_VAR_ELEM_IN_SILICATES]; /* index in metallicity field for elements which make up silicate dust (O, Mg, Si, and Fe) */ + double ISMDustChem_SilicateNumberOfAtomsTable[GALSF_ISMDUSTCHEM_VAR_ELEM_IN_SILICATES]; /* number of O, Mg, Si, and Fe in one formula unit of silicate dust */ double ISMDustChem_EffectiveSilicateDustAtomicWeight; /* atomic weight of one formula unit of silicate dust, depends on which optional module you use */ // Scaling arguements from parameter file used to adjust each dust process double ISMDustChem_SNeIIDustScaling; @@ -796,17 +796,14 @@ extern struct global_data_all_processes double ISMDustChem_ThermalSputteringScaling; double ISMDustChem_AccretionTcutoffScaling; double ISMDustChem_SNeGasClearedOfDustScaling; -#if (GALSF_ISMDUSTCHEM_MODEL & 2) - double ISMDustChem_SpeciesBulkDens[4]; /* condensed bulk density for silicates, carbonaceous, SiC, and metallic iron */ + double ISMDustChem_SpeciesBulkDens[3]; /* condensed bulk density for silicates, carbonaceous, and metallic iron */ int ISMDustChem_TrackedSpeciesIDTable[NUM_ISMDUSTCHEM_SPECIES]; /* contains unique ID numbers for each tracked dust species which correspond to their location in ISMDustChem_SpeciesFieldIndexTable. Returns -1 for untracked species */ - int ISMDustChem_SpeciesFieldIndexTable[6]; /* index in dust species field for given dust species. Length should be equal to the number of unique indices listed below. */ + int ISMDustChem_SpeciesFieldIndexTable[NUM_ISMDUSTCHEM_SPECIES]; /* index in dust species field for given dust species. Length should be equal to the number of unique indices listed below. */ int ISMDustChem_Sil_Index; int ISMDustChem_Carb_Index; - int ISMDustChem_SiC_Index; int ISMDustChem_FreeIron_Index ; int ISMDustChem_ORes_Index; int ISMDustChem_InclIron_Index; -#endif #if defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) double UnitGrainNumber; /* factor to convert internal grain number unit to number of grains */ double UnitGrainLength_in_cm; /* factor to convert internal grain length unit to cm */ diff --git a/declarations/cell_data.h b/declarations/cell_data.h index 368d947a8..c60fe429f 100644 --- a/declarations/cell_data.h +++ b/declarations/cell_data.h @@ -37,9 +37,7 @@ extern struct gas_cell_data #ifdef GALSF_ISMDUSTCHEM_MODEL MyDouble ISMDustChem_Dust_Source[NUM_ISMDUSTCHEM_SOURCES]; /*!< amount of dust from each source of dust creation. 0=gas-dust accretion, 1=Sne Ia, 2=SNe II, 3=AGB */ MyDouble ISMDustChem_Dust_Metal[NUM_ISMDUSTCHEM_ELEMENTS]; /*!< metallicity (species-by-species) of dust */ -#if (GALSF_ISMDUSTCHEM_MODEL & 2) - MyDouble ISMDustChem_Dust_Species[NUM_ISMDUSTCHEM_SPECIES]; /*!< metallicity of dust species types. 0=silicates, 1=carbon, 2=SiC, 3=free-flying iron, (optional) 4=oxygen reservoir, (optional) 5=iron inclusions in silicates */ -#endif + MyDouble ISMDustChem_Dust_Species[NUM_ISMDUSTCHEM_SPECIES]; /*!< metallicity of dust species types */ MyDouble ISMDustChem_DelayTimeSNeSputtering; /*!< delay time for thermal sputtering due to recent SNe, used to not double count dust destruction with thermal sputtering */ #if (!defined(RADTRANSFER) && !defined(RT_INFRARED)) && (defined(OUTPUT_DUST_TEMPERATURE) && (GALSF_FB_FIRE_STELLAREVOLUTION > 2)) MyFloat Dust_Temperature; diff --git a/declarations/precompiler_logic.h b/declarations/precompiler_logic.h index b1d0b3d3a..e25e32393 100644 --- a/declarations/precompiler_logic.h +++ b/declarations/precompiler_logic.h @@ -1083,41 +1083,21 @@ #define NUM_ISMDUSTCHEM_ELEMENTS (1+NUM_LIVE_SPECIES_FOR_COOLTABLES) // number of metal species evolved for dust #define NUM_ISMDUSTCHEM_SOURCES (4) // Sources of dust creation/growth 0=gas-dust accretion, 1=SNe Ia, 2=SNe II, 3=AGB outflows -#if (GALSF_ISMDUSTCHEM_MODEL & 2) -#if (GALSF_ISMDUSTCHEM_MODEL & 4) && (GALSF_ISMDUSTCHEM_MODEL & 8) -#define NUM_ISMDUSTCHEM_SPECIES 6 /* 0=silicates, 1=carbonaceous, 2=SiC, 3=free-flying iron, 4=O reservoir, 5=iron inclusions in silicates */ -#elif (GALSF_ISMDUSTCHEM_MODEL & 4) || (GALSF_ISMDUSTCHEM_MODEL & 8) -#define NUM_ISMDUSTCHEM_SPECIES 5 /* 0=silicates, 1=carbonaceous, 2=SiC, 3=free-flying iron, 4=O reservoir or iron inclusions in silicates */ -#elif ((GALSF_ISMDUSTCHEM_MODEL & 16) || (GALSF_ISMDUSTCHEM_MODEL & 32)) && defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) -#ifndef OUTPUT_MACH_NUMBER +#define NUM_ISMDUSTCHEM_SPECIES (2*(GALSF_ISMDUSTCHEM_MODEL & 1) + (GALSF_ISMDUSTCHEM_MODEL & 2) + (GALSF_ISMDUSTCHEM_MODEL & 4) + (GALSF_ISMDUSTCHEM_MODEL & 8)) /* number of dust species tracked, depends on the model */ +#define GALSF_ISMDUSTCHEM_VAR_ELEM_IN_SILICATES 4 /* O, Mg, Si, and Fe needed to make silicates */ +#undef NUM_ADDITIONAL_PASSIVESCALAR_SPECIES_FOR_YIELDS_AND_DIFFUSION +#ifdef GALSF_ISMDUSTCHEM_GRAINSIZEEVO +#ifndef OUTPUT_MACH_NUMBER // mach number is used for subresolved clumping in grain size evo model #define OUTPUT_MACH_NUMBER #endif -#if (GALSF_ISMDUSTCHEM_MODEL & 16) -#define NUM_ISMDUSTCHEM_SPECIES 3 /* 0=silicates, 1=carbonaceous, 3=metallic iron */ -#elif (GALSF_ISMDUSTCHEM_MODEL & 32) -#define NUM_ISMDUSTCHEM_SPECIES 2 /* 0=silicates, 1=carbonaceous */ -#endif #define NUM_ISMDUSTCHEM_SIZE_BINS (GALSF_ISMDUSTCHEM_GRAINSIZEEVO) #define UNIT_GRAIN_NUMBER (All.UnitGrainNumber) #define UNIT_GRAIN_LENGTH (All.UnitGrainLength_in_cm) -#else -#define NUM_ISMDUSTCHEM_SPECIES 4 /* 0=silicates, 1=carbonaceous, 2=SiC, 3=free-flying iron */ -#endif -#else -#define NUM_ISMDUSTCHEM_SPECIES 0 /* no explicit dust species evolved */ -#endif -#if (GALSF_ISMDUSTCHEM_MODEL & 4) || (GALSF_ISMDUSTCHEM_MODEL & 16) // explicit iron nanoparticle model active -#define GALSF_ISMDUSTCHEM_VAR_ELEM_IN_SILICATES 3 /* Assume only O, Mg, and Si in silicate structure while Fe is already present via iron inclusions */ -#else -#define GALSF_ISMDUSTCHEM_VAR_ELEM_IN_SILICATES 4 /* O, Mg, Si, and Fe needed to make silicates */ -#endif -#undef NUM_ADDITIONAL_PASSIVESCALAR_SPECIES_FOR_YIELDS_AND_DIFFUSION -#if ((GALSF_ISMDUSTCHEM_MODEL & 16) || (GALSF_ISMDUSTCHEM_MODEL & 32)) && defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) #define NUM_ADDITIONAL_PASSIVESCALAR_SPECIES_FOR_YIELDS_AND_DIFFUSION (NUM_ISMDUSTCHEM_ELEMENTS+NUM_ISMDUSTCHEM_SOURCES+NUM_ISMDUSTCHEM_SPECIES+(2*NUM_ISMDUSTCHEM_SPECIES*NUM_ISMDUSTCHEM_SIZE_BINS)) #else #define NUM_ADDITIONAL_PASSIVESCALAR_SPECIES_FOR_YIELDS_AND_DIFFUSION (NUM_ISMDUSTCHEM_ELEMENTS+NUM_ISMDUSTCHEM_SOURCES+NUM_ISMDUSTCHEM_SPECIES) #endif -#endif +#endif // end of GALSF_ISMDUSTCHEM_MODEL block /* end of metals block */ diff --git a/file_io/io.cc b/file_io/io.cc index 87c814c2c..5809316bc 100644 --- a/file_io/io.cc +++ b/file_io/io.cc @@ -590,7 +590,7 @@ void fill_write_buffer(enum iofields blocknr, int *startindex, int pc, int type) break; case IO_DUSTCHEMSPECIESMET: /* gas dust species following Species routines */ -#if (GALSF_ISMDUSTCHEM_MODEL & 2) +#if defined(GALSF_ISMDUSTCHEM_MODEL) for(n = 0; n < pc; pindex++) if(P[pindex].Type == type) { @@ -2012,7 +2012,7 @@ int get_bytes_per_blockelement(enum iofields blocknr, int mode) break; case IO_DUSTCHEMSPECIESMET: -#if (GALSF_ISMDUSTCHEM_MODEL & 2) +#if defined(GALSF_ISMDUSTCHEM_MODEL) if(mode) bytes_per_blockelement = (NUM_ISMDUSTCHEM_SPECIES) * sizeof(MyInputFloat); else @@ -2317,7 +2317,7 @@ int get_values_per_blockelement(enum iofields blocknr) break; case IO_DUSTCHEMSPECIESMET: -#if (GALSF_ISMDUSTCHEM_MODEL & 2) +#if defined(GALSF_ISMDUSTCHEM_MODEL) values = NUM_ISMDUSTCHEM_SPECIES; #endif break; @@ -2722,7 +2722,7 @@ int blockpresent(enum iofields blocknr) break; case IO_DUSTCHEMSPECIESMET: -#if (GALSF_ISMDUSTCHEM_MODEL & 2) +#if defined(GALSF_ISMDUSTCHEM_MODEL) return 1; #endif break; diff --git a/file_io/read_ic.cc b/file_io/read_ic.cc index 0393648d1..5debde844 100644 --- a/file_io/read_ic.cc +++ b/file_io/read_ic.cc @@ -280,7 +280,7 @@ void empty_read_buffer(enum iofields blocknr, int offset, int pc, int type) break; case IO_DUSTCHEMSPECIESMET: -#if (GALSF_ISMDUSTCHEM_MODEL & 2) +#if defined(GALSF_ISMDUSTCHEM_MODEL) for(n = 0; n < pc; n++) {for(k = 0; k < NUM_ISMDUSTCHEM_SPECIES; k++) {CellP[offset + n].ISMDustChem_Dust_Species[k] = *fp++;}} // Get dust species fractions #endif break; diff --git a/mesh/merge_split.cc b/mesh/merge_split.cc index 765a3e80b..8902406a0 100644 --- a/mesh/merge_split.cc +++ b/mesh/merge_split.cc @@ -623,7 +623,7 @@ int split_particle_i(int i, int n_particles_split, int i_nearest) } #endif -#if (GALSF_ISMDUSTCHEM_MODEL & 2) && defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) +#if defined(GALSF_ISMDUSTCHEM_MODEL) && defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) int l; double total_bin_num, total_bin_mass; for(k=0;k 0 && temp < temp_cutoff) { for(j=0;j0) {*key_elem=2; *key_mass=All.ISMDustChem_AtomicMassTable[*key_elem];}} - /******** SiC ********/ - else if (spec_indx==All.ISMDustChem_SiC_Index) { - if (dust_metallicity[2]>0 && dust_metallicity[7]>0) - { - if (dust_metallicity[7]/All.ISMDustChem_AtomicMassTable[7] < dust_metallicity[2]/All.ISMDustChem_AtomicMassTable[2]) *key_elem = 7; - else *key_elem = 2; - *key_mass = All.ISMDustChem_AtomicMassTable[*key_elem]; - } - } /******** METALLIC IRON ********/ else if (spec_indx==All.ISMDustChem_FreeIron_Index || spec_indx==All.ISMDustChem_InclIron_Index) {if (dust_metallicity[10]>0) {*key_elem=10; *key_mass=All.ISMDustChem_AtomicMassTable[*key_elem];}} /******** O RESERVOIR ********/ @@ -378,24 +340,8 @@ void ISMDustChem_get_SNe_dust_yields(double *yields, int i, double t_gyr, int SN #endif if(t_gyr < SNeIa_age) {source_key=2;} // 1=1a, 2=II for(k=0;kyields[4]) {dust_yields[4]=yields[4];} // Just in case there's not enough O - for(k=2;k 1.0) // AGB stars with abundace ratio C/O > 1 only produce carbonacous dust - { - dust_yields[2] = yields[2] - 0.75*yields[4]; dust_yields[0] = dust_yields[2]; // C - } else { // AGB stars with abundance C/O < 1 produce general silicate dust - dust_yields[6] = condens_eff * yields[6]; // Mg - dust_yields[7] = condens_eff * yields[7]; // Si - dust_yields[10] = condens_eff * yields[10]; // Fe - dust_yields[4] = 16 * (dust_yields[6]/All.ISMDustChem_AtomicMassTable[6] + dust_yields[7]/All.ISMDustChem_AtomicMassTable[7] + dust_yields[10]/All.ISMDustChem_AtomicMassTable[10]); // O - // Check to make sure we dont produce too much O dust given the leftover O dust not in CO - if (dust_yields[4] > yields[4]-(4./3.*yields[2])) {dust_yields[4] = yields[4]-(4./3.*yields[2]);} - for(k=2;k 1.0) // AGB stars with abundace ratio C/O > 1 only produce carbonacous dust + // { + // dust_yields[2] = yields[2] - 0.75*yields[4]; dust_yields[0] = dust_yields[2]; // C + // } else { // AGB stars with abundance C/O < 1 produce general silicate dust + // dust_yields[6] = condens_eff * yields[6]; // Mg + // dust_yields[7] = condens_eff * yields[7]; // Si + // dust_yields[10] = condens_eff * yields[10]; // Fe + // dust_yields[4] = 16 * (dust_yields[6]/All.ISMDustChem_AtomicMassTable[6] + dust_yields[7]/All.ISMDustChem_AtomicMassTable[7] + dust_yields[10]/All.ISMDustChem_AtomicMassTable[10]); // O + // // Check to make sure we dont produce too much O dust given the leftover O dust not in CO + // if (dust_yields[4] > yields[4]-(4./3.*yields[2])) {dust_yields[4] = yields[4]-(4./3.*yields[2]);} + // for(k=2;k0 && (spec_indx==All.ISMDustChem_Sil_Index)))) { species_yields[j] *= yields[k]/dust_yields[k]; } } @@ -536,7 +481,7 @@ void ISMDustChem_get_wind_dust_yields(double *yields, int i) /* Simple fit to cumulative AGB dust production for a Kroupa IMF stellar population only with specific metallicities and stellar ages (assuming stars become AGBs at the ends of the main sequence lifetime) derived from AGB dust creation data table in Zhukovska+(08) */ double specific_Z_AGB_dust(int spec_indx, double star_age, int z_bound) { - /* spec_indx: 0 = silicate, 1 = carbon, 2 = silicon carbide, 3 = metallic iron */ + /* spec_indx: silicate, carbon, metallic iron */ /* z_bound: 0 = 2*Z_solar, 1 = Z_solar, 2 = 0.4*Z_solar, 3 = 0.2*Z_solar, 4 = 0.05*Z_solar*/ double cum_return=0; double logt = log10(star_age); @@ -594,33 +539,6 @@ double specific_Z_AGB_dust(int spec_indx, double star_age, int z_bound) else {cum_return = 5.73E-5*(logt - 3.65) + 3.80E-4;} } } - else if (spec_indx==All.ISMDustChem_SiC_Index) { - if (z_bound == 0) { - if (star_age < 272) {cum_return = 3.55E-7*logt - 6.64E-7;} - else if (star_age < 890) {cum_return = 1.03E-4*(logt - 2.44) + 2.00E-7;} - else {cum_return = 8.64E-7*(logt - 2.95) + 5.31E-5;} - } - else if (z_bound == 1) { - if (star_age < 272) {cum_return = 3.73E-7*logt - 6.33E-7;} - else if (star_age < 1544) {cum_return = 2.93E-5*(logt - 2.43) + 2.75E-7;} - else {cum_return = 5.82E-7*(logt - 3.19) + 2.24E-5;} - } - else if (z_bound == 2) { - if (star_age < 235) {cum_return = 1.06E-7*logt - 1.74E-7;} - else if (star_age < 4812) {cum_return = 1.04E-6*(logt - 2.37) + 7.84E-8;} - else {cum_return = 2.47E-7*(logt - 3.68) + 1.44E-6;} - } - else if (z_bound == 3) { - if (star_age < 202) {cum_return = 6.38E-9*logt - 1.02E-8;} - else if (star_age < 3394) {cum_return = 2.48E-8*(logt - 2.31) + 4.52E-9;} - else {cum_return = 9.51E-9*(logt - 3.53) + 3.48E-8;} - } - else if (z_bound == 4) { - if (star_age < 245) {cum_return = 2.97E-11*logt - 4.81E-11;} - else if (star_age < 2392) {cum_return = 1.11E-10*(logt - 2.39) + 2.28E-11;} - else {cum_return = 3.73E-13*(logt - 3.38) + 1.33E-10;} - } - } else if (spec_indx==All.ISMDustChem_FreeIron_Index) { if (z_bound == 0) { if (star_age < 525) {cum_return = 5.98E-6*logt - 9.97E-6;} @@ -658,7 +576,7 @@ double specific_Z_AGB_dust(int spec_indx, double star_age, int z_bound) /* Simple fit to cumulative AGB dust mass returns for a stellar population*/ double cumulative_AGB_dust_returns(int dust_type, double star_age, double z) { - /* dust_type: 0 = silicate, 1 = carbon, 2 = silicon carbide, 3 = metallic iron */ + /* dust_type: silicate, carbon, metallic iron */ double cumulative_mass; if (z <= 0.05) {cumulative_mass = specific_Z_AGB_dust(dust_type,star_age,4);} else if (z <= 0.2) {cumulative_mass = specific_Z_AGB_dust(dust_type,star_age,4) + (z-0.05)/(0.2-0.05)*(specific_Z_AGB_dust(dust_type,star_age,3) - specific_Z_AGB_dust(dust_type,star_age,4));} @@ -796,10 +714,9 @@ double ISMDustChem_Return_Mass_Where_Dust_Shocked(double rho_cell_in_code_units, { double vs7=1., local_n0=rho_cell_in_code_units*All.cf_a3inv*UNIT_DENSITY_IN_NHCGS; // dust destruction efficiency, minimum gas shock velocity in ~10^7 cm/s which destroys dust, and number density around SNe double mass_shocked_in_code_units; // mass shocked to 100 km/s which destroys dust. use the weights to distribute shocked mass across the neighboring gas particles -#if (GALSF_ISMDUSTCHEM_MODEL & 16) || (GALSF_ISMDUSTCHEM_MODEL & 32) - /* From detailed SNR simulations in Kirchschlager+ 2022/24 */ +#ifdef GALSF_ISMDUSTCHEM_GRAINSIZEEVO + /* From detailed SNR simulations in Schaffler+ 2025 */ // TBD - /* From fits in Yamasawa+ 2011 */ mass_shocked_in_code_units = 1535 * Esne51_into_cell / (pow(local_n0, 0.202) * pow(Z_cell/All.SolarAbundances[0]+0.039,0.298) * UNIT_MASS_IN_SOLAR); #else @@ -816,7 +733,7 @@ void update_ISMDustChem_after_mechanical_injection(int j, double mass_shocked, d { // If SNe events happened need to first destroy the appropriate amount of dust if there is any dust int k,l,spec_indx; -#if ((GALSF_ISMDUSTCHEM_MODEL & 16) || (GALSF_ISMDUSTCHEM_MODEL & 32)) && defined(GALSF_ISMDUSTCHEM_GRAINSIZEEVO) +#ifdef GALSF_ISMDUSTCHEM_GRAINSIZEEVO // Mass is injected before this function in the feedback routine so this check will fail if we don't make a temporary mass change // For evolving grain sizes the fraction of dust destroyed depends on the initial grain size distribution // This uses a novel routine presented in Choban+25 (in prep) to approximate shattering and subsequent sputtering of dust grains @@ -883,7 +800,7 @@ void update_ISMDustChem_after_mechanical_injection(int j, double mass_shocked, d for(k=0;k1E4) { int k,j,spec_indx; - double dF; // change in fraction of element condensed into dust - double sputter_timescale, t_ref, T_ref, avg_grain_radius; double dust_yields[NUM_ISMDUSTCHEM_ELEMENTS] = {0.0}; - -#if (GALSF_ISMDUSTCHEM_MODEL & 1) - T_ref = 2E6; avg_grain_radius = 0.032; /* um */ t_ref = 0.17; /* Gyr */ - sputter_timescale = t_ref * (avg_grain_radius / 0.1) / (rho*1E27) * (pow((T_ref/ temp), 2.5) + 1.) / All.ISMDustChem_ThermalSputteringScaling; - // Calculate the fraction of mass of a certain element to be destroyed due to thermal sputtering - for (k=2;k 0.) {no_dust = 0; break;}} - if (no_dust) - { - CellP[i].ISMDustChem_Dust_Metal[0] = 0.; - // if all dust is destroyed need to zero creation sources - for(k=0;k0 && All.ISMDustChem_TrackedSpeciesIDTable[k]!=All.ISMDustChem_InclIron_Index) {all_dest = 0; break;}} - if (all_dest) - { - for(k=0;k0 && All.ISMDustChem_TrackedSpeciesIDTable[k]!=All.ISMDustChem_InclIron_Index) {all_dest = 0; break;}} + if (all_dest) + { + for(k=0;k0 && (spec_indx==All.ISMDustChem_Sil_Index)))) { CellP[i].ISMDustChem_Dust_Species[j] *= P[i].Metallicity[k]/dust_yields[k]; } } @@ -1850,77 +1690,6 @@ void ISMDustChem_update_iron_inclusions(int i) } -// Debugging function to check dust element metallicites against total dust species masses. -void check_dust_fields(int i, int update_process) -{ - int k,j; - double elem_yields[NUM_ISMDUSTCHEM_ELEMENTS] = {0.}; - double source_total=0; - for (k=0;k0 && (fabs(CellP[i].ISMDustChem_Dust_Metal[k]-elem_yields[k])/CellP[i].ISMDustChem_Dust_Metal[k]>0.0001 || CellP[i].ISMDustChem_Dust_Metal[k]>P[i].Metallicity[k])) {mismatch+=1;} - if(CellP[i].ISMDustChem_Dust_Metal[k]<0) {mismatch+=1;} - } - for (k=0;k0){ - printf("Yield mismatch process %i\n",update_process); - for (k=0;k Date: Thu, 2 Apr 2026 18:35:50 -0400 Subject: [PATCH 87/90] Updated .gitignore to include files from and test suite. --- .gitignore | 18 +++++++++++++++++- 1 file changed, 17 insertions(+), 1 deletion(-) diff --git a/.gitignore b/.gitignore index a9590d7b9..bb1e0c316 100644 --- a/.gitignore +++ b/.gitignore @@ -1,5 +1,21 @@ +# Files used for gizmo compilation. *.o GIZMO GIZMO_config.h compile_time_info.cc -Config.sh \ No newline at end of file +Config.sh + +# Files used for gizmo test suite. +build/ +spcool_tables/ +TREECOOL +spcool_tables.tgz +test/*/*.txt +test/*/output +*egg-info +*.err +*.out +*.hdf5 +*.tmp +*.pyc +*values From f1d46278179004535624574bbf5fd1f847ea03e6 Mon Sep 17 00:00:00 2001 From: Caleb Choban Date: Fri, 3 Apr 2026 12:34:15 -0400 Subject: [PATCH 88/90] Fixed silicate composition handling --- solids/ism_dust_chemistry.cc | 11 ++++++----- 1 file changed, 6 insertions(+), 5 deletions(-) diff --git a/solids/ism_dust_chemistry.cc b/solids/ism_dust_chemistry.cc index b91d85ca6..319ee6276 100644 --- a/solids/ism_dust_chemistry.cc +++ b/solids/ism_dust_chemistry.cc @@ -56,9 +56,9 @@ void Initialize_ISMDustChem_Global_Variables() All.ISMDustChem_SilicateNumberOfAtomsTable[1] = 1.06; All.ISMDustChem_SilicateNumberOfAtomsTable[2] = 1.; All.ISMDustChem_SilicateNumberOfAtomsTable[3] = 0.571; - if (GALSF_ISMDUSTCHEM_SILICATE_COMPOSITION & 2) {All.ISMDustChem_SilicateMetallicityFieldIndexTable[0] += 2;} - if (GALSF_ISMDUSTCHEM_SILICATE_COMPOSITION & 4) {All.ISMDustChem_SilicateMetallicityFieldIndexTable[3] += 1;} - if (GALSF_ISMDUSTCHEM_SILICATE_COMPOSITION & 8) {All.ISMDustChem_SilicateMetallicityFieldIndexTable[3] = 0;} + if (GALSF_ISMDUSTCHEM_SILICATE_COMPOSITION & 2) {All.ISMDustChem_SilicateNumberOfAtomsTable[0] += 2;} + if (GALSF_ISMDUSTCHEM_SILICATE_COMPOSITION & 4) {All.ISMDustChem_SilicateNumberOfAtomsTable[3] += 1;} + if (GALSF_ISMDUSTCHEM_SILICATE_COMPOSITION & 8) {All.ISMDustChem_SilicateNumberOfAtomsTable[3] = 0;} All.ISMDustChem_EffectiveSilicateDustAtomicWeight = 0.; for(j=0;j 0) { // if this element is in silicate composition and not Si itself then set depletion based on Si depletion and silicate stoichiometry CellP[i].ISMDustChem_Dust_Metal[All.ISMDustChem_SilicateMetallicityFieldIndexTable[k]] += CellP[i].ISMDustChem_Dust_Metal[7] / (All.ISMDustChem_SilicateNumberOfAtomsTable[2] * All.ISMDustChem_AtomicMassTable[7]) * (All.ISMDustChem_SilicateNumberOfAtomsTable[k] * All.ISMDustChem_AtomicMassTable[All.ISMDustChem_SilicateMetallicityFieldIndexTable[k]]); sil_mass_frac += CellP[i].ISMDustChem_Dust_Metal[All.ISMDustChem_SilicateMetallicityFieldIndexTable[k]]; } @@ -289,9 +289,10 @@ void ISMDustChem_get_species_key_elem(int spec_indx, double *dust_metallicity, i /******** SILICATE ********/ if (spec_indx==All.ISMDustChem_Sil_Index) { double sil_elem_abunds[GALSF_ISMDUSTCHEM_VAR_ELEM_IN_SILICATES] = {0.}; - *key_elem = 0; + for(k=0;k 0) {*key_elem = k; break;}} // start with first element in silicates for(k=0;k Date: Fri, 3 Apr 2026 12:35:25 -0400 Subject: [PATCH 89/90] Add commented-out code for initial log normal size distribution. --- solids/ism_dust_chemistry.cc | 17 +++++++++++++++++ 1 file changed, 17 insertions(+) diff --git a/solids/ism_dust_chemistry.cc b/solids/ism_dust_chemistry.cc index 319ee6276..bd17312a4 100644 --- a/solids/ism_dust_chemistry.cc +++ b/solids/ism_dust_chemistry.cc @@ -201,6 +201,23 @@ void Initialize_ISMDustChemEvo_Particle_Variables(int i) update_ISMDustChemEvo_bin_number_and_slope(i,j,k,number_in_bin,mass_in_bin); } } + // Assume initial mass distribution per logarithmic grain size (a^4*dn/da) is log-normal + // double a0=0.1E-4, sigma = 0.6; + // for (j=0;j Date: Mon, 6 Apr 2026 13:53:05 -0400 Subject: [PATCH 90/90] Fix calculation of dust species count in precompiler logic --- declarations/precompiler_logic.h | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/declarations/precompiler_logic.h b/declarations/precompiler_logic.h index e25e32393..ef65b192c 100644 --- a/declarations/precompiler_logic.h +++ b/declarations/precompiler_logic.h @@ -1083,7 +1083,7 @@ #define NUM_ISMDUSTCHEM_ELEMENTS (1+NUM_LIVE_SPECIES_FOR_COOLTABLES) // number of metal species evolved for dust #define NUM_ISMDUSTCHEM_SOURCES (4) // Sources of dust creation/growth 0=gas-dust accretion, 1=SNe Ia, 2=SNe II, 3=AGB outflows -#define NUM_ISMDUSTCHEM_SPECIES (2*(GALSF_ISMDUSTCHEM_MODEL & 1) + (GALSF_ISMDUSTCHEM_MODEL & 2) + (GALSF_ISMDUSTCHEM_MODEL & 4) + (GALSF_ISMDUSTCHEM_MODEL & 8)) /* number of dust species tracked, depends on the model */ +#define NUM_ISMDUSTCHEM_SPECIES (2*(GALSF_ISMDUSTCHEM_MODEL & 1) + (GALSF_ISMDUSTCHEM_MODEL & 2)/2 + (GALSF_ISMDUSTCHEM_MODEL & 4)/4 + (GALSF_ISMDUSTCHEM_MODEL & 8)/8) /* number of dust species tracked, depends on the model */ #define GALSF_ISMDUSTCHEM_VAR_ELEM_IN_SILICATES 4 /* O, Mg, Si, and Fe needed to make silicates */ #undef NUM_ADDITIONAL_PASSIVESCALAR_SPECIES_FOR_YIELDS_AND_DIFFUSION #ifdef GALSF_ISMDUSTCHEM_GRAINSIZEEVO

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ranks in routine --- python_src/gizmo/test.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/python_src/gizmo/test.py b/python_src/gizmo/test.py index 4ffb27335..6f4f0ee67 100644 --- a/python_src/gizmo/test.py +++ b/python_src/gizmo/test.py @@ -36,10 +36,12 @@ def download_test_files(test_name: str): raise (FileNotFoundError(f"Could not find ICs and params for test {test_name}")) -def run_test(test_name: str): +def run_test(test_name: str, num_mpi_ranks: int=1, num_openmp_threads: int=0): """Runs the test""" paramsfile = f"test/{test_name}/{test_name}.params" - system(f"mpirun ./GIZMO {paramsfile} 0 1>test_{test_name}.out 2>test_{test_name}.err") + if num_openmp_threads > 0: + os.environ["OMP_NUM_THREADS"] = num_openmp_threads + system(f"mpirun -np {num_mpi_ranks} ./GIZMO {paramsfile} 0 1>test_{test_name}.out 2>test_{test_name}.err") def get_cooling_tables(): From 2747bf7ac6a088e68f8e4e9e1262e5e44d040393 Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Thu, 19 Mar 2026 11:32:39 -0400 Subject: [PATCH 57/90] run gmc tests on a grid of processor numbers --- python_src/gizmo/test.py | 10 +++++----- test/gmc_cooling/nH_vs_T.png | Bin 123494 -> 130148 bytes test/gmc_cooling/test_gmc_cooling.py | 8 +++++--- test/gmc_cooling_rt/nH_vs_T.png | Bin 54767 -> 43794 bytes test/gmc_cooling_rt/test_gmc_cooling_rt.py | 6 ++++-- 5 files changed, 14 insertions(+), 10 deletions(-) diff --git a/python_src/gizmo/test.py b/python_src/gizmo/test.py index 6f4f0ee67..f5ba2db7c 100644 --- a/python_src/gizmo/test.py +++ b/python_src/gizmo/test.py @@ -36,11 +36,9 @@ def download_test_files(test_name: str): raise (FileNotFoundError(f"Could not find ICs and params for test {test_name}")) -def run_test(test_name: str, num_mpi_ranks: int=1, num_openmp_threads: int=0): +def run_test(test_name: str, num_mpi_ranks: int=1):#, num_openmp_threads: int=0): """Runs the test""" paramsfile = f"test/{test_name}/{test_name}.params" - if num_openmp_threads > 0: - os.environ["OMP_NUM_THREADS"] = num_openmp_threads system(f"mpirun -np {num_mpi_ranks} ./GIZMO {paramsfile} 0 1>test_{test_name}.out 2>test_{test_name}.err") @@ -53,8 +51,10 @@ def get_cooling_tables(): system("cp cooling/TREECOOL .") -def build_and_run_test(test_name: str): +def build_and_run_test(test_name: str, num_mpi_ranks: int=1, num_openmp_threads: int=0): """Top-level routine that does all necessary building, downloading, and running of the test""" + if num_openmp_threads > 0: + os.environ["OMP_NUM_THREADS"] = num_openmp_threads build_gizmo_for_test(test_name) download_test_files(test_name) - run_test(test_name) + run_test(test_name, num_mpi_ranks) diff --git a/test/gmc_cooling/nH_vs_T.png b/test/gmc_cooling/nH_vs_T.png index 2b5567033cf30cd7acd9ccd88abfb585077ba4fc..e8b3da7351d1866d47d08bb9465124ff12f45f11 100644 GIT binary patch literal 130148 zcmd43WmJ`K^eqZfN-H28N{Z4c9RecV(%oH~29a(Fr9m1t-Q6kO-L>i3z@|Ab{Ql>R zaqoxo@s9g}0UKU6PpoIHx#pY?A@Z^k7^p<3aBy%Kl3%|l!oj^b0zQ^sA_L#KFpV<> 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z-YH}e@E$L}OW*b@16%ySmB;}}_oT`^Ez=L3T~lRwWqb8oQ5)bP155tuCYgS#QVd$R z`Q^_az%$U5RvPFpVvqqX&({zJrtC>ew8PiEu}HhUZTHQrdYwPZEGuR=3T3N`s?d!F1F^#_op|lSreP7l76f%DQS^HvYGX=V~;<^GJgk- zMC9GwwG=q^0$jwk=Dh~+Dv~tW&vBc-OpU2azGn#B_2jS**sE$VN_cg9Gi!qIn==~^ z>wMEu5k7F1Z`JOZbLLFB|2`a;nXKy$=PY=_yP=x3Ot`9eZhGJJU2`(bkH3{=V`v9n zlg==u6PO6*tmOwzsR6q_rWO`6t~qU*a>klrrlZaEof{*3fXf};S+hQCJ^tW9LX>O` za5xXxFS)C5|H_pm!2ArFLpyUu1Dw@?MJy!?Fs*FWumMgyys?bT<2vyDJ0?oAcO56U{gBFo;+0@hw$wjvDRw;UHx3vIVCg!0AbwmUH||9 From bce0f81ef843701f68b2c3aca07935060c7209aa Mon Sep 17 00:00:00 2001 From: Mike Grudic Date: Tue, 10 Mar 2026 19:45:50 -0400 Subject: [PATCH 36/90] feat: added runtime parameter InitRadiationTemp for IR radiation temperature so that it's not simply tied to the gas temp --- Makefile.systype | 4 ++-- allvars.h | 3 +++ begrun.c | 9 +++++++++ radiation/rt_utilities.c | 8 ++++---- test/gmc_cooling/test_gmc_cooling.py | 4 ++-- test/gmc_cooling_rt/nH_vs_T.png | Bin 81970 -> 79865 bytes test/gmc_cooling_rt/test_gmc_cooling_rt.py | 4 ++-- 7 files changed, 22 insertions(+), 10 deletions(-) diff --git a/Makefile.systype b/Makefile.systype index 7504ff042..aada74007 100644 --- a/Makefile.systype +++ b/Makefile.systype @@ -13,7 +13,7 @@ #SYSTYPE="Wheeler" #SYSTYPE="CaltechHPC" #SYSTYPE="MacBookPro" -#SYSTYPE="MacBookCellar" +SYSTYPE="MacBookCellar" #SYSTYPE="Quest" #SYSTYPE="Quest-intel" #SYSTYPE="TSCC" @@ -40,7 +40,7 @@ #SYSTYPE="HLRB2" #SYSTYPE="MPA" #SYSTYPE="VIP" -SYSTYPE="Ubuntu" +#SYSTYPE="Ubuntu" #SYSTYPE="MBM" #SYSTYPE="OpteronMPA-Gnu" #SYSTYPE="OpteronMPA-Intel" diff --git a/allvars.h b/allvars.h index b9015d89c..4f64a5b2c 100644 --- a/allvars.h +++ b/allvars.h @@ -2522,6 +2522,9 @@ extern struct global_data_all_processes double InterstellarRadiationFieldStrength; double RadiationBackgroundRedshift; #endif +#ifdef RT_INFRARED + double InitRadiationTemp; +#endif #ifdef RT_LEBRON double PhotonMomentum_Coupled_Fraction; diff --git a/begrun.c b/begrun.c index f34c78e80..3bcffccf3 100644 --- a/begrun.c +++ b/begrun.c @@ -1839,6 +1839,12 @@ void read_parameter_file(char *fname) addr[nt] = &All.RadiationBackgroundRedshift; id[nt++] = REAL; #endif +#ifdef RT_INFRARED + strcpy(tag[nt], "InitRadiationTemp"); + strcpy(alternate_tag[nt], "InitRadTemp"); + addr[nt] = &All.InitRadiationTemp; + id[nt++] = REAL; +#endif #ifdef AGS_HSML_CALCULATION_IS_ACTIVE strcpy(tag[nt], "AGS_DesNumNgb"); @@ -2334,6 +2340,9 @@ void read_parameter_file(char *fname) if(strcmp("Redshift_RT_Background",tag[i])==0) {*((double *)addr[i])=0.0; printf("Tag %s (%s) not set in parameter file: defaulting to assuming z=0 background radiation field \n",tag[i],alternate_tag[i]); continue;} #endif +#if defined(RT_INFRARED) + if(strcmp("InitRadiationTemp",tag[i])==0) {*((double *)addr[i])=20.; printf("Tag %s (%s) not set in parameter file: defaulting to assuming 20K radiation temperature \n",tag[i],alternate_tag[i]); continue;} +#endif #if defined(FIRE_PHYSICS_DEFAULTS) if(strcmp("SfEffPerFreeFall",tag[i])==0) {*((double *)addr[i])=1; printf("Tag %s (%s) not set in parameter file: defaulting to FIRE-default of unity (=%g) \n",tag[i],alternate_tag[i],All.MaxSfrTimescale); continue;} #if (FIRE_PHYSICS_DEFAULTS >= 3) diff --git a/radiation/rt_utilities.c b/radiation/rt_utilities.c index 3e5bce0af..c0ca3324c 100644 --- a/radiation/rt_utilities.c +++ b/radiation/rt_utilities.c @@ -1006,7 +1006,7 @@ void rt_apply_boundary_conditions(int i) #ifdef RT_INFRARED if(k==RT_FREQ_BIN_INFRARED) { SphP[i].Radiation_Temperature = background_isrf_cmb_Teff(); - SphP[i].Dust_Temperature = DMIN(All.InitGasTemp,100.); + SphP[i].Dust_Temperature = DMIN(All.InitRadiationTemp,100.); } #endif } @@ -1041,7 +1041,7 @@ void get_background_isrf_urad(int i, double *urad){ double background_isrf_cmb_Teff(){ // Returns the energy-weighted effective temperature of the background ISRF that has equivalent average photon energy to the sum of the ISRF and CMB // Necessary because current IR band treatment lumps both radiation fields together - double urad_ISRF_CGS_eV = All.InterstellarRadiationFieldStrength * 0.39, Trad_ISRF = DMIN(All.InitGasTemp,100.); + double urad_ISRF_CGS_eV = All.InterstellarRadiationFieldStrength * 0.39, Trad_ISRF = DMIN(All.InitRadiationTemp,100.); double fac_TCMB= 1.+All.RadiationBackgroundRedshift, fac_uCMB = pow(fac_TCMB,4); double urad_CMB_CGS_eV = fac_uCMB * 0.262, Trad_CMB = 2.73 * fac_TCMB; return (urad_ISRF_CGS_eV * Trad_ISRF + urad_CMB_CGS_eV * Trad_CMB) / (urad_ISRF_CGS_eV + urad_CMB_CGS_eV); // weighting by SED energy @@ -1070,7 +1070,7 @@ void rt_set_simple_inits(int RestartFlag) { int k; #ifdef RT_INFRARED - if(flag_to_reset_values_on_startup) {SphP[i].Radiation_Temperature = SphP[i].Dust_Temperature = DMIN(All.InitGasTemp,100.);} //get_min_allowed_dustIRrad_temperature(); // in K, floor = CMB temperature or 10K + if(flag_to_reset_values_on_startup) {SphP[i].Radiation_Temperature = SphP[i].Dust_Temperature = DMIN(All.InitRadiationTemp,100.);} //get_min_allowed_dustIRrad_temperature(); // in K, floor = CMB temperature or 10K #ifdef RT_ISRF_BACKGROUND if(flag_to_reset_values_on_startup) {SphP[i].Radiation_Temperature = background_isrf_cmb_Teff();} //SphP[i].Dust_Temperature; #endif @@ -1114,7 +1114,7 @@ void rt_set_simple_inits(int RestartFlag) #ifdef RT_INFRARED if(flag_to_reset_values_on_startup && k==RT_FREQ_BIN_INFRARED) { // only initialize the IR energy if starting a new run, otherwise use what's in the snapshot - SphP[i].Rad_E_gamma[RT_FREQ_BIN_INFRARED] = (4.*5.67e-5 / C_LIGHT_CGS) * pow(DMIN(All.InitGasTemp,100.),4.) / UNIT_PRESSURE_IN_CGS * P[i].Mass / (SphP[i].Density*All.cf_a3inv); + SphP[i].Rad_E_gamma[RT_FREQ_BIN_INFRARED] = (4.*5.67e-5 / C_LIGHT_CGS) * pow(DMIN(All.InitRadiationTemp,100.),4.) / UNIT_PRESSURE_IN_CGS * P[i].Mass / (SphP[i].Density*All.cf_a3inv); } #endif #ifdef RT_ISRF_BACKGROUND diff --git a/test/gmc_cooling/test_gmc_cooling.py b/test/gmc_cooling/test_gmc_cooling.py index 769129e49..d4026fe3a 100644 --- a/test/gmc_cooling/test_gmc_cooling.py +++ b/test/gmc_cooling/test_gmc_cooling.py @@ -45,9 +45,9 @@ def test_gmc_cooling(): test_name = "gmc_cooling" get_cooling_tables() build_and_run_test(test_name) - if not path.isfile("output/snapshot_010.hdf5"): + if not path.isfile("test/gmc_cooling/output/snapshot_010.hdf5"): raise (RuntimeError("GIZMO did not run successfully.")) - test_stats = compute_test_statistic("output/snapshot_010.hdf5", plot=True) + test_stats = compute_test_statistic("test/gmc_cooling/output/snapshot_010.hdf5", plot=True) benchmark_stats = compute_test_statistic("gmc_cooling_exact.hdf5") assert np.all(np.isclose(test_stats, benchmark_stats, rtol=0.1)) diff --git a/test/gmc_cooling_rt/nH_vs_T.png b/test/gmc_cooling_rt/nH_vs_T.png index 13d67d07c6f5f8be314153fb01d02f9cac8428df..25dd057428fbbbc3a0b96700c06578f354670b9b 100644 GIT binary patch literal 79865 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