Justin Kat wrote:
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 <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.
There is no error here. The -v flag causes this information to be printed, and
it is entirely normal.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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