[CP2K:8536] Re: segmentation error when running Monte Carlo with QS in cp2k versions 2.7 and forwards

Luis Ruiz Pestana lar... at lbl.gov
Sun Jan 15 19:17:19 CET 2017


Hi Andreas,

Thanks for the suggestion. Unfortunately, the simulation still crashes when
the first MC move is attempted. Please, let me know if there is anything
else I could do. Thanks for your time!

Best,
Luis

On Tue, Jan 10, 2017 at 2:34 AM, Andreas Glöss <andreas... at gmail.com>
wrote:

> Dear Luis,
>
> I gave it a try. hmc.inp (the QS-MC) runs fine here (>14 MC steps), while
> bias_template.inp stops - no SegFault - with a message about a missing file
> during write. The latter is definitely a bug and will be fixed. As a quick
> workaround specify:
>
>     RESTART no
>     RESTART_FILE_NAME dummy_restart_file
>
> in the MC section. It seems that the default file name is missing in
> 'write_mc_restart' and CP2K tries to write the file, even thought it will
> not be used afterward.
>
> Does this solve your problem - for now?
>
> Best regards,
> Andreas
>
> --
> You received this message because you are subscribed to a topic in the
> Google Groups "cp2k" group.
> To unsubscribe from this topic, visit https://groups.google.com/d/
> topic/cp2k/rPfEKCKfgAk/unsubscribe.
> To unsubscribe from this group and all its topics, send an email to
> cp2k+uns... at googlegroups.com.
> To post to this group, send email to cp... at googlegroups.com.
> Visit this group at https://groups.google.com/group/cp2k.
> For more options, visit https://groups.google.com/d/optout.
>



-- 
Luis A. Ruiz Pestana, PhD
Postdoctoral Fellow
University of California, Berkeley
Lawrence Berkeley National Laboratory
Berkeley, CA 94720
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170115/cec51a15/attachment.html>


More information about the CP2K-user mailing list