Sunny wrote:
Hi,
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 supply more details, like system size, PME details etc.
Thanks,
Sunny
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David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
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