[gmx-users] parallel running

[Esztermann, Ansgar]

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

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