[gmx-users] GROMACS Parallel Runs

[Mark Abraham]

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 give us the end of the mdrun output, and describe the 
construction of your system.

Mark