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Merge pull request #16 from Lumi-supercomputer/update/20240308
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Update/20240308
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klust authored Mar 8, 2024
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# What's new in the LUMI software stack

## 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](e/EasyBuild-tools/index.md) with extra tools that might be needed
for some EasyConfigs.
- [JAX](j/jax/index.md): Containers made available through EasyBuild-generated modules
- Improved documentation for the [PyTorch containers](p/PyTorch/index.md),
and initial steps to offer containers that support a Python virtual environment for
adding packages out-of-the-box.
- [Quantum ESPRESSO](q/QuantumESPRESSO/index.md),
[GROMACS 2024.1](g/GROMACS/index.md) and
[NAMD 2.14](n/NAMD/index.md): EasyConfigs for `LUMI/23.09`.
An initial effort to compile [NAMD 3.0b6](n/NAMD/index.md) 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](p/PETSc/index.md) with the Cray toolchain


## Release 20240301

- [VASP](v/VASP/index.md): VASP 6.4.2 for cpeGNU/23.09.
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