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Sync meeting on EESSI test suite (2024 04 18)

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Kenneth Hoste edited this page Apr 19, 2024 · 1 revision

EESSI test suite sync meetings

Planning

  • every 2 weeks on Thursday at 14:00 CE(S)T
  • next meetings:
    • Fri 3 May 2024 13:00 CEST
    • Thu 23 May 2024 14:00
    • Thu 13 June 2024 13:00 CEST
    • THu 27 June 14:00 CEST (TO CONFIRM)

Meeting (2024-04-18)

attending: Sam, Satish, Xin, Lara, Kenneth

  • ESPResSo test
    • due June'24 (M18) for MultiXscale milestone 3
    • two test cases available: Lennard-Jones + Ionic Liquid
    • see also MultiXscale deliverable D2.1 (https://zenodo.org/records/8420223)
    • Satish got Python scripts for both from Jean-Noël, and is looking into implementing those into EESSI test suite
  • OpenFOAM test
    • WIP by Satish
    • based motorBike tutorial case used in EESSI demo (https://github.com/EESSI/eessi-demo/tree/main/OpenFOAM)
    • setting maxGlobalCells needs to be done slightly differently
    • out-of-memory error when actually using 200M as maxGlobalCells
      • probably means that current demo script doesn't actually use 200M
    • with 20M for maxGlobalCells, meshing takes ~1h
    • segfault with actual run with 20M, probably due to memory requirements
    • mehsing/running fine with 8M as maxGlobalCells
    • now ready to start implementing this as a ReFrame test
    • => would be good to document current conclusions in https://github.com/EESSI/test-suite/issues/3
    • see also exaFOAM benchmarks => https://exafoam.eu/benchmarks
      • contact: Martha @ BSC
  • questions from Thomas & Richard on running test suite
  • open PRs
    • LAMMPS (https://github.com/EESSI/test-suite/pull/131)
      • working on CPU/GPU now, ready for review/test
      • need to figure out how to change the option based on whether it's a Kokkos/GPU or GPU-only build of LAMMPS
      • for now, hardcoded for Kokkos/GPU
      • Tilen (MultiXscale) is using 'pure' GPU build of LAMMPS
      • code can be restructured so there's less duplication:
      class EESSI_LAMMPS_base(rf.RunOnlyRegressionTest):
    # common stuff goes here

@rfm.simple_test
class EESSI_LAMMPS_lj(EESSI_LAMMPS_base):

    sourcesdir = 'src/lj'
    executable = 'lmp -in in.lj'

    @run_after('setup')
    def set_executable_opts(self):
        ...

@rfm.simple_test
class EESSI_LAMMPS_rhodo(EESSI_LAMMPS_base):

    sourcesdir = 'src/rhodo'
    readonly_files = ["data.rhodo"]
    executable = 'lmp -in in.rhodo'

    @run_after('setup')
    def set_executable_opts(self):
        ...
      • set_omp_num_threads could become a hook, also used for CP2K test
    • QuantumESPRESSO (https://github.com/EESSI/test-suite/pull/128)
      • => depends on base test which got merged into ReFrame hpctestlib, which is not in a ReFrame release yet...
      • on hold, for now?
      • maybe Sam can take a look
    • CP2K
      • implement + adopt hook for set_omp_num_threads
      • review/test by Lara
    • PyTorch (Caspar, on hold)
  • other

Previous meetings

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