[gmx-users] Output error mpirun/mdrun_mpi

[Justin A. Lemkul]

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

========================================