[gmx-users] parallel running
Esztermann, Ansgar
Ansgar.Esztermann at mpi-bpc.mpg.de
Tue Mar 8 12:23:08 CET 2011
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
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