Performance analysis of CP2K 2.6 vs 2.7

Andreas Glöss andreas... at gmail.com
Mon Jun 29 07:44:03 UTC 2015


Hi Abhishek,

I just had a quick look at your outputs. You are not using the same number 
of MPI ranks for your experiment (Total number of message passing 
processes: 128/121), maybe some default was changed?
Even thought the larger, non-square number of MPI ranks is not optimal for 
MPI performance, it might improve local multiplications and pdsyevd due to 
smaller data portions.

Andreas

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