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

Daniele Selli daniele.selli at unimib.it
Thu May 2 10:32:00 CEST 2019


Dear DFTB+ users,

I am using the MPI version of the dftb+ 18.2 code on an intel cluster
(running on more nodes).
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:
.....
.....
***  Geometry step: 0

 iSCC Total electronic   Diff electronic      SCC error

===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   PID 7363 RUNNING AT cnode45.cluster.net
=   EXIT CODE: 7
=   CLEANING UP REMAINING PROCESSES
=   YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
===================================================================================
   Intel(R) MPI Library troubleshooting guide:
      https://software.intel.com/node/561764
===================================================================================


Did some of you ever experienced the same error?
Thank you so much for your help.

All the best,
Daniele
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