[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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