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In the following example, we show a job script that will run on the Nvidia A100 GPU nodes (Berlin). Per default, VASP will use one GPU per MPI task. If you plan to use 4 GPUs per node, you need to set 4 MPI tasks per node. Then, set the number of OpenMP threads to 18 (because 4x18=72 which is the number of CPU cores on these nodes GPU A100 partition) to speed up your calculation. This, however, also requires proper process pinning.
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