Hello
everyone,
I have a
very strange situation and I cannot find any proper solution for it;
I highly appreciate any recommendations.
Here is
the problem:
I have a
simulation system (polymer and ions with repulsive wall) and when I
run this simulation on my desktop everything is fine (run on single CPU with 6 cores) regardless of skin parameter (0.4) and the warm
up steps; it works even with a very short warm up.
When I
try to run this simulation on a cluster, a few steps after warm up it
crashes with the sometimes bond broken error or wall constraint
violation error. I tried different nodes and cores combinations and
even on a single node with 2 CPUs (run on 12 cores) it crashes. I have
changed the skin parameter up to 2.0 and very long warm up and still I get the
same error messages a few steps after the warm up.
I should
mention that I did not cap the interactions between the particles (polymer
or ion) and the walls during the warm up.
I am not
sure whether it is because of the MPI settings on the cluster or not,
but the cluster administrators are not helpful at all to ask anything about
the system settings and configuration.
I
attached the config.log file if it helps.
Thank
you very much,
Best
regards,
Arash
Arash Azari
config.log