[gmx-users] Regarding mdrun segmentation fault in cluster

David van der Spoel spoel at xray.bmc.uu.se
Sat Jun 9 12:41:04 CEST 2007

naga raju wrote:
> Dear gmx users,
>                 I am using mdrun command in pentium-4
> redhat linux, job was completed without any errors.
> When I use the same files in cluster(redhat
> enterprizes OS), I got the following error, 
> Grid: 14 x 14 x 15 cells
> Configuring nonbonded kernels...
> Testing x86_64 SSE2 support... present.
do you mean that you use the same tpr file in another machine and get 
lincs errors? Did you use the same mdrun binary?

In that case please submit a bugzilla.

If the binaries are different please check your compilers etc.

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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