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Conference call notes 20220413

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Simon Branford edited this page Apr 14, 2022 · 5 revisions

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Notes on the 195th EasyBuild conference call, Wednesday 13th April 2022 (15:00 UTC)

Attendees

Alphabetical list of attendees (11):

  • Simon Branford (Univ. of Birmingham, UK)
  • John Dey (Fred Hutch, Seattle, US)
  • Jasper Grimm (University of York, UK)
  • Thomas Hayward-Schneider (Max Planck Institute for Plasma Physics (IPP))
  • Kurt Lust (Univ. of Antwerpen, Belgium + LUMI User Support Team)
  • Sebastien Moretti (SIB, Switzerland)
  • Mikael Öhman (Chalmers University of Technology, Sweden)
  • Jurij Pečar (EMBL, Germany)
  • Jörg Saßmannshausen (Imperial College London, UK)
  • Alexandre Strube (JSC, Germany)
  • Lars Viklund (Umeå University, Sweden)

Agenda

  • EasyBuild v4.5.4 release
  • overview of recent developments
  • Q&A

EasyBuild v4.5.4 release

Recent developments

  • release timeline
    • latest release: EasyBuild v4.5.4 (31 Mar 2022)
    • ETA next release: tbc
  • recent changes
  • to merge/fix/tackle soon
    • framework
      • reported bugs / bug fixes
        • ...
      • enhancements
      • changes
        • ...
    • easyblocks
      • bug reports/fixes
        • fix extension filter for Perl packages (PR #2699)
      • enhancements
        • enhance Clang easyblock to add support for building with AMDGPU offload (PR #2684)
      • updates
        • update Siesta EasyBlock to support GCC 10+ by adding -fallow-argument-mismatch Fortran compiler option (PR #2690)
      • new software
        • ...
      • changes
        • ...
    • easyconfigs
      • bug fixes
        • add patch to make PyTorch v1.10.0 detect CUDA-enabled OpenMPI when using UCX-CUDA (PR #14496)
        • R-4.1.2-foss-2021b.eb install failing (issue #15005)
          • includes some suggested changes w.r.t. PROJ + NLopt that we should apply?
          • to be tested in (fat?) container image
        • replace assertions by highlight in JIT tests to simple regex matches in PyTorch v1.10.0 tests (PR #15073)
          • seems like these tests only fail when using build directory on shared filesystems like GPFS
        • installation of easybuild-easyconfigs fails because easybuild/easyconfigs/p/path.py is not a regular file (issue #3984)
      • enhancements
        • ...
      • new software
      • noteworthy software updates
        • RoseTTAFold v1.0.0 (PR #13795)
        • TensorFlow v2.7.1 (WIP) (PR #14990)
          • failing tests are for new features of TensorFlow
          • ignore these failing tests for now, report upstream
        • hipSYCL v0.9.2 (PR #15074)
        • Qt6 (PR #15096)
        • AlphaFold v2.2.0 (PR #15129)
          • failing jax tests on A100?
        • PyTorch v1.11.0 (PR #15137)
        • CP2K v9.1 with foss/2021a (PR #15146) and intel/2021a (PR #15147)
      • changes
        • consider moving R to GCC level, splitting MPI extensions into a separate bundle (issue #15195)

Q&A

Jörg:

  • software in containers - os level packages
    • user space vs os - replacing OS package
    • requirement for LibUUID - this is now in util-linux
  • GROMACS with IvyBridge - failing tests
    • generic build

Mikael:

  • OpenMPI/CUDA
    • patch OpenMPI - for CUDA awareness
    • MPItrampoline
    • PR with OpenMPI

Sebastien:

  • InterProScan
    • large dataset bundled
    • remove this from the bundle
    • separate package / or manual download
      • depends on size and ease of download
      • also link between version of software and data
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