Dear gmx-users,<br><br>My colleague seems to be experiencing an output containing errors after issuing the command below:<br><br>mpirun -np 8 mdrun_mpi -s *.tpr -o *.tpr -c out -v >& outt.mdrun_md<br><br>The output reads as follows:<br>
<br><div id=":26k">NNODES=8, MYRANK=0, HOSTNAME=node3.reyclus.loc<br>NODEID=0 argc=8<br> :-) G R O M A C S (-:<br><br>NNODES=8, MYRANK=7, HOSTNAME=node3.reyclus.loc<br>NNODES=8, MYRANK=5, HOSTNAME=node3.reyclus.loc<br>
GRoups of Organic Molecules in ACtion for Science<br><br> :-) VERSION 4.0.7 (-:<br><br><br> Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.<br> Copyright (c) 1991-2000, University of Groningen, The Netherlands.<br>
Copyright (c) 2001-2008, The GROMACS development team,<br> check out <a href="http://www.gromacs.org/" target="_blank">http://www.gromacs.org</a> for more information.<br><br> This program is free software; you can redistribute it and/or<br>
modify it under the terms of the GNU General Public License<br> as published by the Free Software Foundation; either version 2<br> of the License, or (at your option) any later version.<br><br>
:-) mdrun_mpi (-:<br><br>NNODES=8, MYRANK=4, HOSTNAME=node3.reyclus.loc<br>NODEID=4 argc=8<br>NNODES=8, MYRANK=1, HOSTNAME=node3.reyclus.loc<br>NODEID=1 argc=8<br>NODEID=5 argc=8<br><br>NNODES=8, MYRANK=2, HOSTNAME=node3.reyclus.loc<br>
NODEID=2 argc=8<br>NNODES=8, MYRANK=6, HOSTNAME=node3.reyclus.loc<br>NODEID=6 argc=8<br><br>1000000 steps, 1000.0 ps. <br>step 0<br>imb F 3% step 100, will finish Sat Jan 29 14:50:02 2011 <br>
imb F 394% step 200, will finish Sat Jan 29 17:50:38 2011 <br>imb F 3% step 300, will finish Sat Jan 29 17:00:30 2011 <br>imb F 3% step 400, will finish Sat Jan 29 15:12:15 2011 <br>
imb F 3% step 500, will finish Sat Jan 29 14:40:28 2011<br>imb F 4% step 600, will finish Sat Jan 29 13:51:32 2011 <br>imb F 5% step 700, will finish Sat Jan 29 13:16:34 2011<br><br><br>It would be much appreciated if some light could be shed on what is going wrong perhaps.<br>
<br>Thank you,<br>Justin<br></div>