Sync meeting on EESSI test suite (2024 02 29)

Planning

• every 2 weeks on Thursday at 14:00 CE(S)T
• next meetings:
  • Thu 14 Mar'24 14:00 CET

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Meeting (2024-02-29)

• Disable running CUDA-capable modules on CPU #110

  • Merged
  • Now, for Snellius GPU config here, it will NOT run OSU on host buffers. I don't think this is desired, I think we should have OSU not use the hook...

• Always request GPUs on partitions that require it #116

  • Reviewed, works
  • Small open request on prepending check_always_request_gpu
  • Merged!

TODO before 0.2.0 release:

TODO before 0.2.0 release:

• this can be closed now?
  • Closed!
• Remove 0.2.0 tag here?
• Sam will try to clean up the code style before the 0.2.0
• Release when?

Next steps?

• Satish: OpenFOAM test
  • Example in the OpenFOAM demo is not part of OpenFOAM 11 anymore, but we could still copy it from an older version and ship it with the test suite
  • software-layer demo is also broken for this reason
  • Formatting has changed for Form dictionary in OpenFOAM 11 compared to previous versions
  • After formatting adaptations: getting segfaults for the software-layer demo (motorbike case)
• ESPResSo (ask Xin?)
• PyTorch (Caspar)
• LAMMPS (Lara)
  • will reach out to Tielen Potisk
  • Multiple options:
    • suggestions from Tielen (bench/in.lj and bench/in.rhodo)
    • from Alan (from an HPC carpentry https://www.hpc-carpentry.org/tuning_lammps/04-lammps-bottlenecks/index.html#case-study-rhodopsin-system)
    • Meluxina has an internal LAMMPS test that Kenneth asked them to share
• Sam: Cleanup! :)
  • Test json-export format from ReFrame
• CP2K (Sam)
• Add ALWAYS_REQUEST_GPU to surf_snellius.py config (Caspar)
• Add CUDA-capable OSU to EESSI (Caspar)
• Add the --report-file option to daily runs on Vega / Karolina, or put it in the config file (?) (Caspar)
• Create release notes for 0.2.0 (Lara)