[CP2K:2959] GEO_OPT

Sasha Batyrev shu... at gmail.com
Wed Dec 1 22:01:02 CET 2010


Dear Teo,
this is one of them
eq-GEO_OPT-0_localLog_p12.out.
There is a reasonable convergence and everything works fine,
but too many useless files.
Thanks,
SashaB





On Wed, Dec 1, 2010 at 3:02 PM, Teodoro Laino <teodor... at gmail.com> wrote:
> Dear SashaB,
>
> I tried to reproduce this issue with a regtest and I don't get the files you mention.
> Could you please paste here the content of these files?
> Very probably there is an error in your run and in those files we could discover the reason.
>
> In general *localLog* files are used to write on disk log information for things which are not properly working -
>
> Best,
> Teo
>
>
>
> On Dec 1, 2010, at 7:08 PM, sashab wrote:
>
>> Dear CP2k users,
>> I am doing QS CELL_OPT(CG) with GEO_OPT (BFGS). For each step of the
>> geometry optimization X and for each processor Y cp2k creates a file
>> like eq-GEO_OPT-X_localLog_pY.out. After a run even with 64 processors
>> the working directory is overfilled. I cannot imagine how the
>> information from each processor could be used. How may I stop the
>> creation of the output files from each processor. PRINT SILENT does
>> not help.
>> Thanks,
>> SashaB
>>
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