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

Daniele Selli daniele.selli at unimib.it
Wed May 22 12:45:32 CEST 2019

Dear Balint,

the stack size is already unlimited.

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

I see, but I do not have any error message from DFTB+, only from
intel MPI.



Il giorno ven 10 mag 2019 alle ore 17:19 Bálint Aradi <aradi at uni-bremen.de>
ha scritto:

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