have 27 k-points.
Does anyone have experience with the MPI version of the code for large
systems? Are there any specific setting that should be used when running
using MPI?
Best regards,
Jonathan Backman, ETH Zürich
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Dear Jerome,
thanks for you answer.
When running using 27 MPI processes (one per k-point), 26 use about 6.6
GB each, and 1 use 24 GB. So in total this does not even use half of the
memory on the machine. So, to me it does not look like a lack of memory
is the problem.
Best regards,
