[gmx-users] GROMACS 3.3.1 Parallel Run

[Mark Abraham]

Sunny wrote:
> Hi,
> 
> I am trying to run my simulation using parallel Gmx 3.3.1 on a cluster 
> with Linux 2.6.9-42.0.3.ELsmp, gcc 3.4.6 and ScaliMPI. My simulation 
> causes abortion with the following error message:
> 
> --- mpimon --- Aborting run after process-3 terminated abnormally 
> Childprocess 26151 exited with exitcode 0 ---
> 
> 
> Each time it reports a different process being terminated such as 
> process-1 or process-10 in addition to the process-3 as above.
> 
> The Gmx examples such as tutor/water can be run on this system.

So what's different between them and your attempted simulation?

> Also, my simulation has successfully run on another system under Gmx 
> 3.3.1 parallel run.
> 
> I'd like to know what causes the abortion in my simulation on this 
> system. Is it caused by ScaliMPI?

We can't tell yet.

Mark