[gmx-users] GROMACS on a cluster

[Ali Ahmed]

Dear GROMACS users

I need to work on a cluster which has 30 nodes, each has 8 processors

I need to work on 8 nodes (64 processors). For mdrun I used this command:

 mpirun -np 64 gmx_mpi mdrun ......

but the simulation failed to start and here is the error

--------------------------------------------------------------------------
mpirun was unable to find the specified executable file, and therefore
did not launch the job.  This error was first reported for process
rank 0; it may have occurred for other processes as well.

NOTE: A common cause for this error is misspelling a mpirun command
      line parameter option (remember that mpirun interprets the first
      unrecognized command line token as the executable).

Node:       login-1
Executable: gmx_mpi
--------------------------------------------------------------------------
16 total processes failed to start

I could not figur this error.
Any suggestions will be appreciated

Thanks in advance