[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
only if it's compiled with -g
gdb `which mdrun` core
> will have a look on the gromacs webpage to find out info about
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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