[DFTB-Plus-User] Troubles with DFTB+ 18.2 MPI (EXIT CODE: 7)

Bálint Aradi aradi at uni-bremen.de
Fri May 10 17:19:37 CEST 2019

Dear Daniele,

> The system is pretty big (around 2000 atoms) and I am also using > the D3 module for dispersion forces.> > The problem is that, randomly,
I have the following error:

It is hard to say, what happens there. Usually, if DFTB+ stops
intentionally, it writes an appropriate error message.

As you seem to use the intel compiler, could you set the stack size to
unlimited (ulimit -s unlimited), just to be on the safe side.



Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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