MD NVT run cost more time after running about 200 steps

jumin... at gmail.com jumin... at gmail.com
Tue Apr 28 15:41:46 UTC 2015


Dear Matthias,
       Thank you for suggestions, I check my job and there is no other jobs 
in the same resource.  Is the  disorder geometry causing the problem?  

在 2015年4月28日星期二 UTC+8下午10:54:22,jumi... at gmail.com写道:
>
> Dear cp2k users and developers,
>          I run MD with NVT by cp2k. However, after run about hundreds 
> steps, it cost more time by every electronic steps. Anyone have the similar 
> problem. I attach my input and output files. 
>
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