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add Kokkos mapping for AMD zen4 and NVIDIA Grace to LAMMPS easyblock#3742

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boegel merged 2 commits intoeasybuilders:developfrom
laraPPr:LAMMPS
May 31, 2025
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add Kokkos mapping for AMD zen4 and NVIDIA Grace to LAMMPS easyblock#3742
boegel merged 2 commits intoeasybuilders:developfrom
laraPPr:LAMMPS

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@laraPPr laraPPr commented May 28, 2025

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@boegel boegel changed the title Lammps: add kokkos mapping for zen4 and nvidia grace add Kokkos mapping for zen4 and nvidia grace to LAMMPS easyblock May 30, 2025
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boegel commented May 30, 2025

@boegelbot please test @ jsc-zen3
EB_ARGS="LAMMPS-29Aug2024-foss-2023b-kokkos.eb"
CORE_CNT=16

@boegel boegel added this to the next release (5.1.1?) milestone May 30, 2025
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boegelbot commented May 30, 2025

@boegel: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=3742 EB_ARGS="LAMMPS-29Aug2024-foss-2023b-kokkos.eb" EB_REPO=easybuild-easyblocks EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_3742 --ntasks="16" ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 6527

Test results coming soon (I hope)...

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boegelbot commented May 30, 2025

Test report by @boegelbot

Overview of tested easyconfigs (in order)

  • SUCCESS LAMMPS-29Aug2024-foss-2023b-kokkos.eb

Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/1b427c2347926f3ee3cccf321e0ec22c for a full test report.

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boegel approved these changes May 31, 2025
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lgtm

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boegel approved these changes May 31, 2025
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lgtm

@boegel boegel merged commit 4f8efa3 into easybuilders:develop May 31, 2025
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@boegel boegel changed the title add Kokkos mapping for zen4 and nvidia grace to LAMMPS easyblock add Kokkos mapping for AMD zen4 and NVIDIA Grace to LAMMPS easyblock Jul 4, 2025
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