From 36c6c49f4e18bc4609de3dd84afa63ab5e66b9e3 Mon Sep 17 00:00:00 2001 From: Kurt Lust Date: Mon, 4 Mar 2024 14:53:46 +0100 Subject: [PATCH 1/3] First draft of the what's new for the planned 20240308 update. --- docs/whats_new.md | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/docs/whats_new.md b/docs/whats_new.md index 9f3ea56c55..0d98275d08 100644 --- a/docs/whats_new.md +++ b/docs/whats_new.md @@ -8,6 +8,11 @@ hide: # What's new in the LUMI software stack +## Release 20240308 + +- [JAX](c/jax/index.md): Containers made available through EasyBuild-generated modules +- [Quantum ESPRESSO](q/QuantumESPRESSO/index.md): EasyConfigs for' LUMI/23.09'. + ## Release 20240301 - [VASP](v/VASP/index.md): VASP 6.4.2 for cpeGNU/23.09. From 622ae80e8e2805e742ccc4ccb8a19c13965eb570 Mon Sep 17 00:00:00 2001 From: Kurt Lust Date: Tue, 5 Mar 2024 18:17:31 +0100 Subject: [PATCH 2/3] Updating the list of novelties for 20240308. --- docs/whats_new.md | 11 ++++++++++- 1 file changed, 10 insertions(+), 1 deletion(-) diff --git a/docs/whats_new.md b/docs/whats_new.md index 0d98275d08..df616e603e 100644 --- a/docs/whats_new.md +++ b/docs/whats_new.md @@ -10,8 +10,17 @@ hide: ## Release 20240308 +- 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](c/jax/index.md): Containers made available through EasyBuild-generated modules -- [Quantum ESPRESSO](q/QuantumESPRESSO/index.md): EasyConfigs for' LUMI/23.09'. +- 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) and + [NAMD 2.14](n/NAMD/index.md): EasyConfigs for `LUMI/23.09`. +- New EasyConfig for a GPU-enabled [PETSc](p/PETSc/index.md) with the Cray toolchain + ## Release 20240301 From e623697e4c0ba8452c460b591587849d082add85 Mon Sep 17 00:00:00 2001 From: Kurt Lust Date: Fri, 8 Mar 2024 10:53:28 +0100 Subject: [PATCH 3/3] Final what's new for 20240308. --- docs/whats_new.md | 12 ++++++++++-- 1 file changed, 10 insertions(+), 2 deletions(-) diff --git a/docs/whats_new.md b/docs/whats_new.md index df616e603e..2b8f12a174 100644 --- a/docs/whats_new.md +++ b/docs/whats_new.md @@ -10,15 +10,23 @@ hide: ## 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](c/jax/index.md): Containers made available through EasyBuild-generated modules +- [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) and +- [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