[gmx-users] mpich job hangs on exit

[Anton Feenstra]

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 
> -debug,

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?


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| 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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