[gmx-users] parallel running

[mohsen ramezanpour]

On Tue, Mar 8, 2011 at 2:53 PM, Esztermann, Ansgar <
Ansgar.Esztermann at mpi-bpc.mpg.de> wrote:

>
> On Mar 8, 2011, at 12:00 , mohsen ramezanpour wrote:
> >
> >> > Besides when I used the following command I get an executeable Error:
> >> > mpirun   -np   8   mdrun_mpi     -deffnm   output  &
> >>
> >> What is the error message?
> >
> > the Error is:
> > Failed to find the following executable:
> >
> > Host:       compute-0-4.local
> > Executable: mdrun_mpi
> >
> > Cannot continue.
>
> Is mdrun_mpi available on compute-0-4? If so, it's just a matter of using
> the right path: your shell knows where to look for the executable, but
> mpirun does not. Try
>
> Sorry,You are right.There is not any mdrun_mpi on Nodes.
Thank you.
Besides there are not any followings on nodes:
mdrun_mpi            mdrun_mpi_d.openmpi        mdrun_d
mdrun_mpi_d          mdrun_mpi.openmpi          mpiexec.openmpi
mpirun.openmpi
Do I need to install some of these on cluster to be able run mdrun on all
Nodes?
Thanks in advance for your guidances


> mpirun -np 8 `which mdrun_mpi` -deffnm output &
>
> instead. Note the "backticks" (`).
>
> A.
> --
> Ansgar Esztermann
> DV-Systemadministration
> Max-Planck-Institut für biophysikalische Chemie, Abteilung 105
>
> --
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