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docs/software/sciapps/cp2k.md

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@@ -113,8 +113,9 @@ sbatch run_cp2k.sh
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!!! warning
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There are 4 GPUs per node, and 72 cores per GPU. It is very important that the number of MPI ranks passed to [slurm]
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with `--ntasks-per-node` is a multiple of 4.
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Each GH200 node has 4 modules, each of them composed of a ARM Grace CPU with 72 cores and a H200 GPU directly
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attached to it. Please see [Alps hardware][ref-alps-hardware] for more information.
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It is important that the number of MPI ranks passed to [slurm] with `--ntasks-per-node` is a multiple of 4.
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??? note
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@@ -429,6 +430,12 @@ As a workaround, you can you can disable CUDA acceleration fo the grid backend:
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&END GLOBAL
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```
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??? info "Fix available upon request"
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A fix for this issue for the HIP backend is currently being tested by CSCS engineers. If you would like to test it,
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please contact us and we will be able to provide the source code. The fix will eventually land on the upstream
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[CP2K] repository.
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[CP2K]: https://www.cp2k.org/
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[CP2K Features]: https://www.cp2k.org/features
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[COSMA]: https://github.com/eth-cscs/COSMA

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