Dear all,
I have a problem with the current development version of ESPResSo.
After updating to the newest version on
git[1], running the Lennard-Jones
tutorial[2] with mpi and more than
one process produces an error
message.
When I run the LJ-tutorial on my desktop PC
using "./pypresso" or "mpirun -np 1 ./pypresso" everything is
fine, but when I use "mpirun -np 2 ./pypresso", for
example, I get the following error message:
--------------------------------------------------------------------------
mpirun noticed that process rank 1 with PID
22179 on node host01 exited on signal 11 (Segmentation
fault).
--------------------------------------------------------------------------
Removing "system.analysis.mindist(...)" and
"system.analysis.rdf(...)" from LJ-script fixes
the problem.
I get the same error, when running my simulation-script
on the cluster:
===================================================================================
= BAD TERMINATION OF ONE OF YOUR
APPLICATION PROCESSES
= PID 26307 RUNNING AT n07-048
= EXIT CODE: 11
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP
MESSAGES
===================================================================================
The part of my simulation script, which produces the error,
does not contain any analysis. I haven't been able to find the
exact cause there yet.
These scripts used to work with the development version until
recently.
Does anyone have an idea, where this error might come from?
Many thanks,
Clemens
[1] https://github.com/espressomd/espresso
[2]
https://github.com/espressomd/espresso/blob/python/doc/tutorials/python/01-lennard_jones/scripts/lj_tutorial.py