cp2k on fermi
jacopos
sgr... at gmail.com
Mon Nov 26 15:15:01 UTC 2012
Dear all
I'm trying to do a QM/MM MD on FERMI the Bluegene/Q at Cineca.
I have two problem first of all I have set the global print level to silent
PRINT_LEVEL SILENT
anyway the program still write all the atomic coordinates in output file
for every MD step, I've tried to modify other part of my input but I'm not
able to change this behavior.
Second question the simulation is extremely slow if compared with other
linux based cluster, I know there are problems with performances on
Bluegene but maybe somebody can give me advices to improve performances.
Thanks
Jacopo
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