[gmx-users] GROMACS Parallel Runs
Mark.Abraham at anu.edu.au
Mon Oct 2 02:04:12 CEST 2006
> I am using GROMACS 3.3.1 parallel runs on an AIX supercomputing system.
> My simulation can successfully run on 16 and 32 CPUs (as well as below
> 16 CPUs). When running on 64 CPUs, however, segmentation fault occurs in
> multiple tasks from very beginning of the simulation. I'd like know what
> causes the failure and whether there is any solution to fix the failure.
Please give us the end of the mdrun output, and describe the
construction of your system.
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