more than one node slow the md run

jumin... at gmail.com jumin... at gmail.com
Wed May 6 13:54:33 UTC 2015


I attach my arch file.

在 2015年5月6日星期三 UTC+8下午5:34:40,jumi... at gmail.com写道:
>
> 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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