HI!
WORKS LIKE A CHARM NOW.
Thank you for your hints!
.-)


Am 17.01.2018 um 13:04 schrieb Rainer Rutka:
HI!
Just a question.

We try to start a MPIed job with Gromacs 2016.3 on
our cluster-system here in Germany.

Unfortunately we get this error:

An ORTE daemon has unexpectedly failed after lunch...

See more in the attached gromacs-run-error.txt file.
Our submit-script is attached, too: gromacs-run-pbs.txt

THANKS IN ADVANCE!


--
Rainer Rutka
University of Konstanz
Communication, Information, Media Centre (KIM)
 * High-Performance-Computing (HPC)
 * KIM-Support and -Base-Services
Room: V511
78457 Konstanz, Germany
+49 7531 88-5413

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