EESSI SKA 2023 12 12

Sync meeting EESSI - SKA (2023-12-12)

• software added to EESSI pilot repo
  • DP3 + WSClean (PR #370)
    • using foss/2022a toolchain
  • should ideally be redone for software.eessi.io repo
    • with a more recent toolchain, like foss/2023a
    • target branch: 2023.06-software.eessi.io
• policy on updating of software versions
  • in EasyBuild, we try to stick to a single dependency version (e.g. Python) per "generation" of easyconfigs (for example 2023a)
  • we can diverge from this in EESSI if needed
    • for SKA specifically, we could even consider creating a repo of ska.eessi.io that depends on installations provided by software.eessi.io
  • motivated exceptions can be made in case dependencies must be updated in conjunction
  • in SKA, new version of dependencies (for example OpenBLAS) are typically picked up really quickly to try and get performance gains;
  • for OpenBLAS specifically, the FlexiBLAS in foss can help a lot here
    • allows for runtime selection of "backend" implementation of BLAS/LAPACK
• how are changes that are only needed for specific architectures dealt with?
  • example: tweaks in configuration for OpenCL on AMD CPUs
    • seems like a good fit for extra logic in custom easyblock
      • see FFTW easyblock: https://github.com/easybuilders/easybuild-easyblocks/blob/develop/easybuild/easyblocks/f/fftw.py
    • other option is to implement this in the EasyBuild hooks that are specific to EESSI
      • see https://github.com/EESSI/software-layer/blob/2023.06-software.eessi.io/eb_hooks.py
    • very simple logic can be included in easyconfig itself
      • cfr. https://github.com/easybuilders/easybuild-easyconfigs/pull/19164
• question on auto-mounting
  • see recommendations in https://multixscale.github.io/cvmfs-tutorial-hpc-best-practices/access/client/#autofs
• introductory presentation on EESSI for SKA
• EESSI support portal => https://www.eessi.io/docs/support
• tests for SKA software in EESSI test suite
  • requirements? how does a test look like?
  • different types of tests
    • currently quite limited (minutes, small scale)
    • larger tests can be incorporated, are tagged to be small/large
  • see documentation at https://www.eessi.io/docs/test-suite
    • some software (like GROMACS) is still missing in software.eessi.io repository
  • see also MultiXscale deliverable on plan for portable test suite
    • soon available at https://www.multixscale.eu/deliverables
• next meeting
  • to be scheduled once it's clear when SKA proof-of-concept would be set up
  • and after Caspar's vacation (until mid Jan'24)