[gmx-users] MPIRUN error while running position restrained MD

Ragothaman Yennamalli ymr79in at yahoo.co.in
Thu Jan 18 13:08:57 CET 2007

Dear all,
I am running gromacs3.2 version. When I am running the
position restraint md for the protein, the process
stops within 100 steps with the following error:
One of the processes started by mpirun has exited with
      nonzero exit
code.  This typically indicates that the process
finished in error.
If your process did not finish in error, be sure to
include a "return
0" or "exit(0)" in your C code before exiting the

PID 16200 failed on node n0 ( due to signal

I searched the mailing list and google and understood
that the pressure coupling parameter "tau_p" value in
the .mdp file has to be more than 1.0 and I did the
same. Even otherwise the process gets killed with the
same error.
Please tell me what I am overlooking or making an
Thanks in advance.


Y. M. Ragothaman,
Research Scholar,
Centre for Computational Biology and Bioinformatics,
School of Information Technology,
Jawaharlal Nehru University,
New Delhi - 110067.

Telephone: 91-11-26717568, 26717585
Facsimile: 91-11-26717586

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