[CP2K:8533] Re: segmentation error when running Monte Carlo with QS in cp2k versions 2.7 and forwards
andreas... at gmail.com
Tue Jan 10 11:44:13 CET 2017
I gave it a try. hmc.inp (the QS-MC) runs fine (>14 MC steps) here
(CP2K-r17657), 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:
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?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the CP2K-user