[gmx-users] grompp crashes when submitted to the cluster

Mark Abraham mark.abraham at anu.edu.au
Sun Aug 30 11:48:31 CEST 2009


On 08/28/09, Itamar Kass  <itamar.kass at gmail.com> wrote:
> 
> 
> 
> Hi,
> 
> 
> 
> I have compiled gromacs 4.0.5 on our mac cluster (64bit) using openmpi 1.3.3 and gcc 4.2.1.
> 
> 
> No my problem is grompp. When I manually run grompp it runs smoothly, but when I run it as part of a job to our cluster it crashes:
> 
> 
> /var/spool/torque/mom_priv/jobs/ ... .SC: line 27: 91546 Segmentation fault      grompp
Different architecture that doesn't match the executable?

Mark


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