[DFTB-Plus-User] segmentation fault occurred

[Bálint Aradi]

Dear Natalia,

> ***  Geometry step: 2
> 
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Job Done "
> 
> I did try to use different types of Thermostate and different molecules
> (neutral and charged), but it did not fix a problem.
> I provide my input file.
> Maybe someone has an idea how it can be solved?

I don't see any obvious reasons, why it should segfault. Would it be
possible to send me a self containing example (including geometry and
SK-files), so that I can try to reproduce it? Provided, your geometry is
not too large.

Also, do you run the code in parallel?

  Best regards,

  Bálint


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 819 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20180614/846e5a8d/attachment.sig>