add psm2 to filter-deps and rebuild GROMACS#361
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Just run a quick test build. May fail ... bot: build inst:AWS-MC-NESSI repo:nessi-2023.06-swl-deb11 arch:zen2 |
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Rerun after adding rebuilding of GROMACS... bot: build inst:AWS-MC-NESSI repo:nessi-2023.06-swl-deb11 arch:zen2 |
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Rerun with a specific version of the test suite (v0.2.0)... bot: build inst:AWS-MC-NESSI repo:nessi-2023.06-swl-deb11 arch:zen2 |
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bot: build inst:Fram-NESSI repo:nessi-2023.06-swl-deb11 arch:x86_64/intel/broadwell |
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Just repeat failed builds for bot: build inst:AWS-MC-NESSI repo:nessi-2023.06-swl-deb11 arch:x86_64/generic |
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Resubmit job after adjusting job parameters (different partition, fewer cores)... bot: build inst:Fram-NESSI repo:nessi-2023.06-swl-deb11 arch:x86_64/intel/broadwell |
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Resubmit job after lowering requested resources (20 -> 4 CPU cores)... bot: build inst:Saga-NESSI repo:nessi-2023.06-swl-deb11 arch:x86_64/intel/broadwell |
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Builds for all architectures succeeded. Deployment needs to be semi-automatic:
Step 1: BASE_DIR=/cvmfs/pilot.nessi.no/versions/2023.06/software/linux \
ARCHS=() \
ARCHS+=("aarch64/generic") ; \
ARCHS+=("x86_64/generic") ; \
ARCHS+=("x86_64/amd/zen2") ; \
ARCHS+=("x86_64/intel/broadwell") ; \
ARCHS+=("x86_64/intel/skylake_avx512") ; \
for arch in "${ARCHS[@]}"; do \
ls -l \
${BASE_DIR}/${arch}/{software,modules/all}/GROMACS/2024.1* \
${BASE_DIR}/${arch}/{software,modules/all}/scikit-build-core/0.9.3* ; \
donelogStep 2 (since scikit-build-core/0.9.3 doesn't exist yet we don't remove it): rm -rf \
/cvmfs/pilot.nessi.no/versions/2023.06/software/linux/aarch64/generic/modules/all/GROMACS/2024.1-foss-2023b.lua \
/cvmfs/pilot.nessi.no/versions/2023.06/software/linux/aarch64/generic/software/GROMACS/2024.1-foss-2023b \
/cvmfs/pilot.nessi.no/versions/2023.06/software/linux/x86_64/generic/modules/all/GROMACS/2024.1-foss-2023b.lua \
/cvmfs/pilot.nessi.no/versions/2023.06/software/linux/x86_64/generic/software/GROMACS/2024.1-foss-2023b \
/cvmfs/pilot.nessi.no/versions/2023.06/software/linux/x86_64/amd/zen2/modules/all/GROMACS/2024.1-foss-2023b.lua \
/cvmfs/pilot.nessi.no/versions/2023.06/software/linux/x86_64/amd/zen2/software/GROMACS/2024.1-foss-2023b \
/cvmfs/pilot.nessi.no/versions/2023.06/software/linux/x86_64/intel/broadwell/modules/all/GROMACS/2024.1-foss-2023b.lua \
/cvmfs/pilot.nessi.no/versions/2023.06/software/linux/x86_64/intel/broadwell/software/GROMACS/2024.1-foss-2023b \
/cvmfs/pilot.nessi.no/versions/2023.06/software/linux/x86_64/intel/skylake_avx512/modules/all/GROMACS/2024.1-foss-2023b.lua \
/cvmfs/pilot.nessi.no/versions/2023.06/software/linux/x86_64/intel/skylake_avx512/software/GROMACS/2024.1-foss-2023bStep 3 (reuse command from step 1): logStep 4: done as usually Step 5 (reuse command from step 1): log |
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Checklist before starting deployment (setting
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Target architectures
Checklist for deployment/ingestion
command & logcommand log |
Needed to fix check for missing installations. PSM2 is shipped in the compat layer, so for the moment it can be filtered from dependencies.
Also rebuilds GROMACS and adds build dependency for scikit...
Also see EESSI#576