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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