[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.
________________________________________________________________________
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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