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HPC-Dwarfs / MD-Bench Public

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GPU Cluster Pair Performance - #30

#30

Merged

rafaelravedutti merged 59 commits into

mainHPC-Dwarfs/MD-Bench:mainfrom

gpu_cp_perfHPC-Dwarfs/MD-Bench:gpu_cp_perfCopy head branch name to clipboard

Aug 6, 2026

Conversation Commits59 (59)Checks Files changed

Merged

GPU Cluster Pair Performance#30
rafaelravedutti merged 59 commits into
mainfrom
gpu_cp_perf

Merge branch 'gpu_cp_perf' of github.com:HPC-Dwarfs/MD-Bench into gpu…

b109d2e

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MD-Bench CI on: push 29

Unit tests (clusterpair AVX512 DP)

Argon regression matrix (verletlist, AVX, SP)

Argon regression matrix (verletlist, AVX, DP)

Argon regression matrix (verletlist, AVX2, SP)

Argon regression matrix (verletlist, AVX2, DP)

Argon regression matrix (verletlist, AVX512, SP)

Argon regression matrix (verletlist, AVX512, DP)

Argon regression matrix (clusterpair, AVX, SP)

Argon regression matrix (clusterpair, AVX, DP)

Argon regression matrix (clusterpair, AVX2, SP)

Argon regression matrix (clusterpair, AVX2, DP)

Argon regression matrix (clusterpair, AVX512, SP)

Argon regression matrix (clusterpair, AVX512, DP)

Copper FCC regression matrix (verletlist, AVX, SP)

Copper FCC regression matrix (verletlist, AVX, DP)

Copper FCC regression matrix (verletlist, AVX2, SP)

Copper FCC regression matrix (verletlist, AVX2, DP)

Copper FCC regression matrix (verletlist, AVX512, SP)

Copper FCC regression matrix (verletlist, AVX512, DP)

Copper FCC regression matrix (clusterpair, AVX, SP)

Copper FCC regression matrix (clusterpair, AVX, DP)

Copper FCC regression matrix (clusterpair, AVX2, SP)

Copper FCC regression matrix (clusterpair, AVX2, DP)

Copper FCC regression matrix (clusterpair, AVX512, SP)

Copper FCC regression matrix (clusterpair, AVX512, DP)

Half neighbor-list equivalence

AOS vs SOA data layout equivalence (verletlist)

AOS vs SOA data layout equivalence (clusterpair)

MPI correctness

MD-Bench CI on: pull_request 29

Unit tests (clusterpair AVX512 DP)

Argon regression matrix (verletlist, AVX, SP)

Argon regression matrix (verletlist, AVX, DP)

Argon regression matrix (verletlist, AVX2, SP)

Argon regression matrix (verletlist, AVX2, DP)

Argon regression matrix (verletlist, AVX512, SP)

Argon regression matrix (verletlist, AVX512, DP)

Argon regression matrix (clusterpair, AVX, SP)

Argon regression matrix (clusterpair, AVX, DP)

Argon regression matrix (clusterpair, AVX2, SP)

Argon regression matrix (clusterpair, AVX2, DP)

Argon regression matrix (clusterpair, AVX512, SP)

Argon regression matrix (clusterpair, AVX512, DP)

Copper FCC regression matrix (verletlist, AVX, SP)

Copper FCC regression matrix (verletlist, AVX, DP)

Copper FCC regression matrix (verletlist, AVX2, SP)

Copper FCC regression matrix (verletlist, AVX2, DP)

Copper FCC regression matrix (verletlist, AVX512, SP)

Copper FCC regression matrix (verletlist, AVX512, DP)

Copper FCC regression matrix (clusterpair, AVX, SP)

Copper FCC regression matrix (clusterpair, AVX, DP)

Copper FCC regression matrix (clusterpair, AVX2, SP)

Copper FCC regression matrix (clusterpair, AVX2, DP)

Copper FCC regression matrix (clusterpair, AVX512, SP)

Copper FCC regression matrix (clusterpair, AVX512, DP)

Half neighbor-list equivalence

AOS vs SOA data layout equivalence (verletlist)

AOS vs SOA data layout equivalence (clusterpair)

MPI correctness

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Complete job

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Half neighbor-list equivalence

succeeded Aug 6, 2026 in 16s

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