[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
gdb `which mdrun` core

> will have a look on the gromacs webpage to find out info about 
> bugzilla...
> regards,

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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