[gmx-users] RE: Parallel instalation: gmx-users Digest, Vol 74, Issue 76

[abdul wadood]

Dear Carsten

I give the path for the topol.tpr file now the error is change which is

Fatal error:
3: Too many LINCS warnings (4254)
3: If you know what you are doing you can adjust the lincs warning threshold in your mdp file
3: or set the environment variable GMX_MAXCONSTRWARN to -1,
3: but normally it is better to fix the problem
3: -------------------------------------------------------
3:
3: "You're About to Hurt Somebody" (Jazzy Jeff)
3:
3: Halting program mdrun_mpi
3:
3: gcq#98: "You're About to Hurt Somebody" (Jazzy Jeff)
3:
3: [0] MPI Abort by user Aborting program !
3: [0] Aborting program!
3:     p4_error: latest msg from perror: No such file or directory


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 




Subject: Re: Parallel instalation:  gmx-users Digest, Vol 74, Issue 76
From: ckutzne at gwdg.de
Date: Thu, 17 Jun 2010 15:46:40 +0200
CC: wadoodbiochemist at hotmail.com
To: gmx-users at gromacs.org



On Jun 17, 2010, at 3:42 PM, abdul wadood wrote:Dear Carsten 

the command which i give is 

mpiexec -l -np 4 /usr/local/gromacs/bin/mdrun_mpi -s topol.tpr

with this command the same error come which is 

Can not open file:
3: topol.tpr
3: -------------------------------------------------------
Maybe "." (the current directory) is not in your path. Either try
mpiexec -l -np 4 /usr/local/gromacs/bin/mdrun_mpi -s ./topol.tpr
or give the full path name:
mpiexec -l -np 4 /usr/local/gromacs/bin/mdrun_mpi -s  /absolute/path/to/topol.tpr
Carsten


 		 	   		  
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