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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