more than one node slow the md run
jumin... at gmail.com
jumin... at gmail.com
Wed May 6 09:34:40 UTC 2015
Dear cp2k users and developers,
I find when I run a md at more than one node (such as two nodes),
after run about 1000 steps,the electronic steps will cast more than 1000s.
I compile my cp2k 2.6.1 using the ifort 12.1.2 and openmpi 1.8. Is the
version low? Need I change my compiler?
best wishes
minggang
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