[CP2K:3240] status of hybrid OpenMP+MPI version
Matt W
MattWa... at gmail.com
Wed May 18 08:23:26 UTC 2011
Hi Axel,
setting DISTRIBUTION_TYPE REPLICATED
in
CP2K_INPUT / FORCE_EVAL / DFT / MGRID / RS_GRID
should take the code through some different routines in summing the density.
Seeing if it gives similar results might help localize the issue.
Matt
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