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

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jan 18 13:22:48 CET 2007

Ragothaman Yennamalli wrote:
> 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
> application.
> PID 16200 failed on node n0 ( due to signal
> 9.
> -----------------------------------------------------------------------------
> 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. 

This is likely irrelevant. What do the ends of the .log files say?


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