[gmx-users] multi node processing issue

[Mark Abraham]

Hi,

That tends to be that your simulation is blowing up and the MPI library
isn't working out to clean up properly. Make sure your simulation runs
stably in a simple run setup, first.

Mark

On Thu, Dec 8, 2016 at 6:13 AM abhisek Mondal <abhisek.mndl at gmail.com>
wrote:

> Hi,
>
> I'm having a hard time running a npt equilibration code with 2 nodes (32
> cores). The command I'm using is:
> mpirun -np 32 -machinefile  nodes /app/grommacs507/bin/gmx_mpi mdrun
> -tunepme -dlb auto -gcom 10 -v -deffnm npt
>
>
> But this code runs on 32 cores for sometime then  keeps running on 2-4
> cores.
>
> If you please debug me here.
>
> thanks.
>
> --
> Abhisek Mondal
>
> *Research Fellow*
>
> *Structural Biology and Bioinformatics Division*
> *CSIR-Indian Institute of Chemical Biology*
>
> *Kolkata 700032*
>
> *INDIA*
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