[CP2K:8533] Re: segmentation error when running Monte Carlo with QS in cp2k versions 2.7 and forwards

Luis Ruiz Pestana lar... at lbl.gov
Tue Jan 10 06:22:31 CET 2017


Thanks Andreas for the quick response!

The MC_QS.inp test you suggested runs just fine in every version of cp2k
that I have. I have attached here the input files of my original
simulation, maybe you can spot where the problem is. There must be
something in there that produces the segmentation error in the newer
versions that is not in the MC_QS.inp simulation.

Thanks for your time!

Best,
Luis

On Mon, Jan 9, 2017 at 8:12 AM, Andreas Glöss <andreas... at gmail.com>
wrote:

> Dear Luis,
>
> I cannot reproduce the seg-fault without more information (input, arch
> file). Could you please try to run one of the MC tests from the tests
> folder, eg.:
>
> tests/MC/regtest/MC_QS.inp
>
> Best regards,
> Andreas
>
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-- 
Luis A. Ruiz Pestana, PhD
Postdoctoral Fellow
University of California, Berkeley
Lawrence Berkeley National Laboratory
Berkeley, CA 94720
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