Hi, 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 source /path/to/your/installed/gromacs/bin/GMXRC Or use mpirun -np 12 /path/to/your/installed/gromacs/bin/mdrun_mpi -s topol.tpr ... Carsten On Jun 14, 2010, at 7:20 AM, abdul wadood wrote: > Hello, > > 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:wadoodbiochem...@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@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > 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-requ...@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 http://www.mpibpc.mpg.de/home/grubmueller/ihp/ckutzne
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users 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-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php