[DFTB-Plus-User] Error message of "severe (174): SIGSEGV, segmentation fault occurred"

[Bálint Aradi]

Dear Wu Xing,

> I run DFTB+ on a machine of Darwin Linux Cluster, consisting
> x86_64architecture. My model consists ~300 atoms so it is very large. I
> set the run time to 240 hours, but it stops after 15 hours. And the
> error message is the following:

 Without any information about your system, the parameters you used,
etc. it is rather difficult to judge, what the problem in your case
could be.

  However, the default diagonalizer (DivideAndConquer) is known to die
with segmentation fault for awkward cases. You could try to use the
slower but more robust compiler (Standard)

  Regards

    Bálint


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/en/~b_aradi


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