[DFTB-Plus-User] Troubles with DFTB+ 18.2 MPI (EXIT CODE: 7)
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:
Did some of you ever experienced the same error?
Thank you so much for your help.
All the best,
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