[gmx-users] Parallel installation
ckutzne at gwdg.de
Mon Jun 14 10:00:50 CEST 2010
you either have to add the directory where mdrun_mpi resides to your
path or you have to give mpirun the full path name of mdrun_mpi.
You can add the Gromacs executables to your path by the command
mpirun -np 12 /path/to/your/installed/gromacs/bin/mdrun_mpi -s topol.tpr ...
On Jun 14, 2010, at 7:20 AM, abdul wadood wrote:
> I am new user of gromacs. I have installed the gromacs and enable the mpi but when I run the command
> "mpirun -np 12 mdrun_mpi -s topol.tpr -o test.trr -x test.xtc -c confout.gro -e test.edr -g test.log"
> The error come that
> "Program mdrun_mpi either does not exist, is not
> executable, or is an erroneous argument to mpirun."
> I have search the problem on mailing list but I do not found satisfactory answer to solve my problem. If you kindly help me in this respect I will be very thankful to you.
> Your help will be highly appreciated by our research group.
> Many regards
> Abdul Wadood,
> Research Scholar,
> Dr.Panjwani Center for Molecular Medicine and
> Drug Research,
> International Center for Chemical and
> Biological Science,
> University of Karachi, Karachi-75720, Pakistan.
> Email:wadoodbiochemist at hotmail.com
> Hotmail has tools for the New Busy. Search, chat and e-mail from your inbox. Learn more. --
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users