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, Justin
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