[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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
More information about the gromacs.org_gmx-users
mailing list