[CP2K:2958] GEO_OPT

Teodoro Laino teodor... at gmail.com
Wed Dec 1 21:02:19 CET 2010


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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