[CP2K:6938] Re: how to make restart file disappear

Huan Wang huan... at mail.huji.ac.il
Tue Sep 1 14:47:46 UTC 2015


Hi Rolf,
Thanks very much for your tips.
That's much better than mine.
Huan
.

On Tue, Sep 1, 2015 at 5:45 PM, Rolf David <rolf.d... at gmail.com> wrote:

> Hi,
>
> They are controlled by the &RESTART_HISTORY section (in the
> &MOTION/&PRINT).
> You can set up the
>
> &RESTART_HISTORY OFF
> &END RESTART_HISTORY
>
> to get rid of the *1_* restart file while remaining the *.restart and
> *.restart-bak-1 .
>
> Rolf
>
> On Tuesday, September 1, 2015 at 4:25:59 AM UTC+2, 王胜杰 wrote:
>>
>> Dear all
>>         When I take a long MD simulation ,like 500,000 steps,the
>> xxx-1_xxx.restart files keeps yielding.They generate every 500 steps.They
>> don't affect the calculation ,but they are very annoying. Where can I set
>> in the input file to control the rate to yielding them?
>>         Best regards to all
>>
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