[gmx-users] mpich job hangs on exit
feenstra at chem.vu.nl
Wed Aug 4 11:58:23 CEST 2004
David van der Spoel wrote:
> Maybe time to make a short test problem...
> It could also be due to a combination of MPI and queueing system, but if
> you can reproduce it in a ten step simulation you can try running with
OK, did that. I now have a 40k atom system (protein + water) that runs for
10 steps on 8 CPU's and than hangs during exit, as I described previously.
Turning on -debug eliminates the problem. What is the next step?
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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| | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/ |
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