[gmx-users] GROMACS Parallel Runs

[David van der Spoel]

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
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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