[gmx-users] gromacs parallel doesn't work

[Beniamino Sciacca]

2006/6/4, Beniamino Sciacca <superbenji83 at gmail.com>:
>
> Ops... I've another new problem, that there wasn't before....
>
> ---------------------------------------------------------------
>
> Program mdrun_d, VERSION 3.3.1
> Source code file: pullinit.c, line: 244
>
> Fatal error:
> Can not do constraint force calculation in parallel!
>
> -------------------------------------------------------
>
> "Exactly" (Pulp Fiction)
>
> Error on node 0, will try to stop all the nodes
> Halting parallel program mdrun_d on CPU 0 out of 2
>
> gcq#96: "Exactly" (Pulp Fiction)
>
>
> -----------------------------------------------------------------------------
> One of the processes started by mpirun has exited with a 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 7593 failed on node n0 ( 127.0.0.1) with exit status 32767.
>
> -------------------------------------------------------------------------------
>
> now i use mpirun -c 2, otherwise it uses only one processor. It seems that
> with constraint forces it's impossible to work on two processes together.
> Before to have all these problem I didn't use mpirun, I didn't use grompp
> -np 2.....
> Before infact I had only one process on two processors.....
> what can I do?
> Thanks one more time
> Beniamino
>
>
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