[gmx-users] Regarding mdrun segmentation fault in cluster
David van der Spoel
spoel at xray.bmc.uu.se
Sat Jun 9 13:49:59 CEST 2007
steletch at jouy.inra.fr wrote:
> Selon naga raju <nagaraju_cy at yahoo.co.in>:
>
>> 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,
>
> ...
>
>> gen_seed = 17532
>> constraints = all-bonds
>
> Try using h-bonds, i suspect this will not be a problem anymore :-)
>
> If that solves, the problem, that may provide another view from the report i
> made last week ...
>
quite on the contrary... (see bugzilla 109). Anyway, it is not a good
idea to adapt the simulation if there is positive evidence that it
should run.
--
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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