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What's new in the LUMI software stack

Release 20241129

  • Removing the last update of cotainr as it contains an annoying bug.
  • Update of the lumio-conf tool in the lumio module. Note that the name of the endpoints in the rclone configuration file has changed to align with the names used by the credential management web interface config files and those generated by the tools in Open OnDemand.
  • Neko for cpeGNU and cpeCray. There is a known issue with cpeGNU though.
  • VASP for LUMI/24.03
  • CP2K for LUMI/24.03 fix. Re-install if you get suspicious results and make sure you do so from the directory with the EasyConfig (/appl/lumi/LUMI-EasyBuild-contrib/easybuild/easyconfigs/c/CP2K) and use the -f flag to force re-installation.

Release 20241112

Release 20241024

  • Fix for htop on LUMI/24.03 so that it is now in systools/24.03.

  • cotainr in LUMI/24.03 to avoid user confusion as many users expect to find the most recent cotainr in the most recent LUMI stack.

  • hpcat experimental tool to study bindings (Cray compiler only)

  • Updated singularity-bindings

  • ELPA for cpeCray and ROCm 6 (some performance degradation observed)

  • Fixes for double linking of LibSci in some PETSc EasyConfigs

  • GROMACS+PLUMED for CPU with full Python support for Cray Python.

Release 20241004

  • ROCm 6.2.2 in LUMI/24.03 partition/G. Note that this module does not work well with the CCE compilers prior to version 18 (still in beta and not on the system) as the bytecode generated by LLVM 18 used in ROCm 6.2 causes errors during linking.

  • Update to cotainr in CrayEnv.

  • STAR rna sequencing EasyBuild recipe.

  • Fix for the visibility problems in the LUMI stack.

Release 20241002

  • Extra configuration for Score-P.

  • Configurations of GROMACS with PLUMED.

  • Deprecation warnings for old Spack modules.

Release 20240927

  • Modules to load the local CSC and quantum computing stacks (Local-CSC and Local-quantum)

  • Framework to stop indexing the Spack modules and avoid indexing the modules from the local stacks unless explicitly requested.

    Do module help ModuleFullSpider/on for more information.

Release 20240920

  • lumi-container-wrapper updated with an openSUSE LEAP 15.5 image and installed in CrayEnv, LUMI/23.12 and LUMI/24.03.

  • Updated EasyConfigs for R for LUMI/2024.03

  • Score-P for LUMI/2024.03, cpeAOCC version missing due to instrumentation issues.

Release 20240916

  • See the user update after the august-september 2024 maintenance for a more complete list of changes.

  • New software stacks for the 23.12 and 24.03 versions are provided.

    • LUMI/24.03 is our preferred software stack and the only one we can fully support. We already provide a lot of user-installable EasyConfigs for this stack.

    • LUMI/23.12 is offered as-is. We do not intend to develop much software on top of it as it will likely be rather short-lived and as we do not receive upstream support for this stack as it does not officially support ROCm 6.0. As most software versions are the same as in 23.09, it should be easy to update build recipes and give you some bug fixes in the GNU and CCE compilers. The AMD compilers in both cpeAOCC and cpeAMD though are much newer versions with all consequences this has...

  • Several build recipes for LUMI/23.09 have been revised to try to work around problems. Note however that the preferred solution is to move to LUMI/24.03.

  • Several old build recipes that we know do not work properly anymore, have been archived.

Release 20240909

Release 20240807

  • A fix for problems with buildtools-python in the version for Cray Python in LUMI/23.09.

  • New package: Yambo (CPU-only)

  • QuEST for LUMI/23.09

  • Warning for the upcoming system maintenance in the message-of-the-day.

Release 20240718

  • cotainr has been updated in CrayEnv to the latest version with the images used during the AI course of May 2024, and has been made available in LUMI/23.09. The examples used in the AI course in Copenhagen should now work again even without specifying a specific version of the LUMI stack though we do discourage that behaviour.

    cotainr in the future will be available in CrayEnv as it really needs nothing from the LUMI stacks, and some versions will be available in some LUMI stacks. The latest version will usually be available in the latest LUMI stack, but as we only change the default version when that stack is sufficiently populated, the default version of the LUMI stack may not always contain the latest version of cotainr or any other software package.

  • lumi-container-wrapper is now available in LUMI/23.09.

  • An EasyConfig for GPAW on GPU. This is currently not containerised so only suitable to run on a moderate number of MPI ranks as otherwise starting GPAW could put a very high stress on the file system.

  • Some minor improvements to the OpenFOAM documentation after issues reported on other sides that turned out not to affect our EasyConfigs.

Release 20240709

  • LUMI/23.09 is now the default version of the LUMI module.
  • Some updated EasyConfigs for the containers for PyTorch and TensorFlow.
  • Updated EasyConfig for Siesta

Release 20240607

  • EasyBuild-user module enhanced to enable running EasyBuild in a container to install software outside of the container. This feature is mostly meant for LUST and some projects that get test versions of compilers.

  • Warnings when using LUMI/22.08 and LUMI/22.12 as their end-of-life is approaching fast and they will not be supportable after the August 2024 system update.

    LUST will do its best to keep LUMI/23.09 running after the update, but even there recompilation may be required, or switching to newer compilers. However, helping users who are already on 23.09 will have a higher priority than helping those who postponed using the newer toolchain.

  • Security fixes to the processing behind the LUMI Software Library and corrections to the fortune messages shown at login.

Release 20240524

Release 20240517

Release 20240412

  • singularity-bindings EasyConfig to be used while 23.09 is the system default version of the HPE Cray Programming Environment, and improved documentation for this module.
  • lumi-training-tools EasyConfig to install software used in the course notes and exercises of the Amsterdam course given by LUST in May 2024.

Release 20240329

Release 20240322

Release 20240308

  • rocm/5.4.6 module in CrayEnv and LUMI/23.09 partition/G as we notice too much problems with rocm/5.6.1 on the current driver version. ROCm 5.4.x is the last supported ROCm version on the driver that we have, but that does not mean that 5.4.x will always work correctly with the HPE Cray PE as that one is mostly tested with ROCm 5.2 on the current OS version of LUMI and ROCm 5.5 on SUSE 15 SP5.
  • EasyBuild module for LUMI/23.09 now also loads EasyBuild-tools with extra tools that might be needed for some EasyConfigs.
  • JAX: Containers made available through EasyBuild-generated modules
  • Improved documentation for the PyTorch containers, and initial steps to offer containers that support a Python virtual environment for adding packages out-of-the-box.
  • Quantum ESPRESSO, GROMACS 2024.1 and NAMD 2.14: EasyConfigs for LUMI/23.09. An initial effort to compile NAMD 3.0b6 with GPU support is also included. Due to the beta nature of this package, problems are to be expected.
  • New EasyConfig for a GPU-enabled PETSc with the Cray toolchain

Release 20240301

  • VASP: VASP 6.4.2 for cpeGNU/23.09.
  • Fixes for the binding issues in the rocm containers
  • New documentation feature: We can now add some documentation to individual EasyConfigs to make it more clear which EasyConfig offers what features. See, e.g., PyTorch.

Release 20240207

Release 20240129

  • New package: Magma for cpeGNU, cpeCray and cpeAMD.
  • Updated EasyConfig for openFOAM
  • ROCm 5.7.1 container, and re-generated versions of the other ROCm containers.

Release 20240116

Release 20240110

  • Improved search in the LUMI Software Library, though for performance reasons we've chosen not to search the EasyConfigs themselves too.
  • Some software brought to 23.09, such as R, GDAL, GEOS and dependencies
  • KaHIP
  • AdaptiveCpp

  • Boost for cpeCray/23.09.

    Note that a workaround was needed for Boost to avoid a linker problem. See the technical documentation on the Boost page to find out what we did if you also run into link problems.

Release 20231215

Release 20231208

Release 20231121

  • Bug fixes for the module view
  • More container recipes

Release 20231116

  • Initial release of the LUMI/23.09 central software stack, including a first selection of user-installable build recipes
  • Initial support for creating modules that ease working with containers provided on LUMI.
  • New version of the cotainr module
  • Bug fix for the lumi-ldap-projectinfo command.