[gmx-users] Parallel installation

abdul wadood wadoodbiochemist at hotmail.com
Mon Jun 14 07:20:35 CEST 2010


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 

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