I am trying to submit the MD production phase job on BRAF C-DAC server for which I have compiled newer version of Gromacs (5.1.2) through my login. I can also use old version of Gromacs 4.5.6 which is preinstalled on BRAF server. With both versions I am unable to submit the jobs through the pbs script-

#! /bin/bash

#PBS -l nodes=3:ppn=12

#PBS -N GROMACS:xxxx

#PBS -q braf

#PBS -j oe

#PBS -k oe

#PBS -V

cd $PBS_O_WORKDIR

export I_MPI_DEVICE=rdma

/home/apps/ics/impi/latest/bin64/mpiexec.hydra /home/braf/md/gromacs-4.5.6/bin/mdrun_mpi -deffnm md_10

or

/home/apps/ics/impi/latest/bin64/mpiexec.hydra /home/braf/md/gromacs-4.5.6/bin/gmx_mpi mdrun -deffnm md_10

The error in user input occurs.

Kindly help in solving this issue.