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

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.


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