[gmx-users] Output error mpirun/mdrun_mpi

Justin Kat justin.kat at mail.mcgill.ca
Fri Jan 28 02:49:22 CET 2011

Dear gmx-users,

My colleague seems to be experiencing an output containing errors after
issuing the command below:

mpirun -np 8 mdrun_mpi  -s  *.tpr -o *.tpr -c out -v >& outt.mdrun_md

The output reads as follows:

NNODES=8, MYRANK=0, HOSTNAME=node3.reyclus.loc
NODEID=0 argc=8
                         :-)  G  R  O  M  A  C  S  (-:

NNODES=8, MYRANK=7, HOSTNAME=node3.reyclus.loc
NNODES=8, MYRANK=5, HOSTNAME=node3.reyclus.loc
               GRoups of Organic Molecules in ACtion for Science

                            :-)  VERSION 4.0.7  (-:

      Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
       Copyright (c) 1991-2000, University of Groningen, The Netherlands.
             Copyright (c) 2001-2008, The GROMACS development team,
            check out http://www.gromacs.org for more information.

         This program is free software; you can redistribute it and/or
          modify it under the terms of the GNU General Public License
         as published by the Free Software Foundation; either version 2
             of the License, or (at your option) any later version.

                              :-)  mdrun_mpi  (-:

NNODES=8, MYRANK=4, HOSTNAME=node3.reyclus.loc
NODEID=4 argc=8
NNODES=8, MYRANK=1, HOSTNAME=node3.reyclus.loc
NODEID=1 argc=8
NODEID=5 argc=8

NNODES=8, MYRANK=2, HOSTNAME=node3.reyclus.loc
NODEID=2 argc=8
NNODES=8, MYRANK=6, HOSTNAME=node3.reyclus.loc
NODEID=6 argc=8

1000000 steps,   1000.0 ps.
step 0
imb F  3% step 100, will finish Sat Jan 29 14:50:02 2011
imb F 394% step 200, will finish Sat Jan 29 17:50:38 2011
imb F  3% step 300, will finish Sat Jan 29 17:00:30 2011
imb F  3% step 400, will finish Sat Jan 29 15:12:15 2011
imb F  3% step 500, will finish Sat Jan 29 14:40:28 2011
imb F  4% step 600, will finish Sat Jan 29 13:51:32 2011
imb F  5% step 700, will finish Sat Jan 29 13:16:34 2011

It would be much appreciated if some light could be shed on what is going
wrong perhaps.

Thank you,
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