[gmx-developers] Possible bug with particle decomposition

Ondrej Marsalek ondrej.marsalek at gmail.com
Thu Dec 16 15:05:45 CET 2010


Dear developers,

I got a colleague's simulations for debugging and it fails when I try
to run it with -pd. It does run with -dd 2 2 2 or with -nt 1. The end
of the output is:

starting mdrun 'methyl Chloride ice'
100000 steps,    100.0 ps.
tMPI error: Invalid buffer (null pointer in send or receive buffer)
(in valid comm)
tMPI error: Invalid buffer (null pointer in send or receive buffer)
(in valid comm)
Aborted

The tpr can be found here:

http://marge.uochb.cas.cz/~marsalek/tmp/topol.tpr

Thanks for having a look at this,
Ondrej



More information about the gromacs.org_gmx-developers mailing list