[gmx-users] parallel runs with lam
David van der Spoel
spoel at xray.bmc.uu.se
Wed Dec 28 10:53:02 CET 2005
Lubos Vrbka wrote:
>> It looks weird, your grid is 4 x 4 x 30.
>> Is your box also very long?
>
> yes, it's a slab geometry, i.e., c unit cell vector length is large in
> comparison with a and b
>
> you write it should end with reasonable error,but if it coredumped...
> you cannot expect reasonable output...
>
>> If you can repeat this, please post a bugzilla.
>
> ok, i'll try to test it more. can i somehow analyze the resultant
> corefile?
only if it's compiled with -g
then
gdb `which mdrun` core
> will have a look on the gromacs webpage to find out info about
> bugzilla...
>
> regards,
>
--
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://xray.bmc.uu.se/~spoel
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