What's new in the LUMI software stack
Release 20240718
-
cotainr
has been updated inCrayEnv
to the latest version with the images used during the AI course of May 2024, and has been made available inLUMI/23.09
. The examples used in the AI course in Copenhagen should now work again even without specifying a specific version of theLUMI
stack though we do discourage that behaviour.cotainr
in the future will be available inCrayEnv
as it really needs nothing from theLUMI
stacks, and some versions will be available in someLUMI
stacks. The latest version will usually be available in the latestLUMI
stack, but as we only change the default version when that stack is sufficiently populated, the default version of theLUMI
stack may not always contain the latest version ofcotainr
or any other software package. -
lumi-container-wrapper
is now available inLUMI/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 theLUMI
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
andLUMI/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
- Improved lumi-tools with bug fixes to
lumi-ldap-userinfo
andlumi-ldap-projectinfo
and the newlumi-ldap-projectlist
command for LUST. - Support for Score-P on LUMI-G with
cpeCray
andcpeAMD
, though with some restrictions mentioned in the documentation in the LUMI Software Library - PyTorch: Additional containers, including one with vLLM
Release 20240517
- OpenFOAM.org 10 EasyConfig for the GNU compilers in 23.09.
- Improved EasyConfig for GROMACS 2024.01 on GPU, using ROCm 5.4.6 which is a better choice on the LUMI AMD GPU driver at this moment.
- JSC PerfTools Score-P 8.4, which also requires Scalasca 2.6.1, libbfd 2.42, OTF2 3.0.3, OPARI2 2.0.8, CubeLib 4.8.2 and CubeWriter 4.8.2. Currently only LUMI-C is supported.
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
- A new PyTorch container
- Much extended documentation for the PyTorch container and rocm container
- The
proot
command is now included insystools/23.09
available in LUMI/23.09 and CrayEnv. This is useful for using so-called "unprivilegedproot
builds" in SingularityCE.
Release 20240322
- CP2K 2024.1 with GPU support for LUMI/23.09
- Improvement to a PETSc EasyConfig
- ROCm container for 5.6.0
Release 20240308
rocm/5.4.6
module inCrayEnv
andLUMI/23.09 partition/G
as we notice too much problems withrocm/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
- SCOTCH 7 for cpeCray
- Updated documentation for HyperQueue, GROMACS, CP2K
- New PyTorch 2.2.0 container with flash-attention and new snapshots of the other containers.
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
- New package: DL_POLY_4: dl-poly in a basic configuration
- New package: QUDA
- Updates to Rust, HyperQueue, PETSc, ELPA.
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
- rocm/5.6.1 and amd/5.6.1
modules installed in
CrayEnv
andLUMI/23.09 partition/G
. - Updated user-installable recipes for Java, including Java/21.
- User-installable recipe for the UNICORE UFTP client.
- User-installable recipe for the installation of SIESTA (CPU version)
Release 20231208
- GROMACS with hipSYCL and dependencies, including a version with heFFT.
- nvtop
- Extra user-installable version of SCOTCH (64-bit integers)
- Update of the aws-ofi-rccl plugin
- Fix for ELPA
- Improved Open MPI with OSU micro-benchmarks as test code and user-installable adapted versions of lumi-CPEtools for checking task and thread distribution and pinning.
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.