Can any one help me  with advice  on the right parameter to submit when submitting a parallel elastic constant jobs? after doing geo opt, my elastic constant ob has been failing i guess based on the parameter set.

what parameters from castep file do i need  to add in my castep.sh run file to enale the simulation run ok (see below). My job file consist of the psuedopotential, cij file made up of the cell and parameter file from c1-1 to c6_4).

#!/bin/bash

#\$ -j y

#\$ -V

#\$ -l arch=intel*

#\$ -N [job name]

##\$ -l mem=2G

#\$ -l h_rt=[time]

#\$ -pe openmpi-ib 16

module add compilers/intel/11.0

module add mpi/intel/openmpi/1.4.4

job_name=[job name]

mpirun -np 16 /usr/local/extras/CASTEP/castep-6.0.1-openmpi \$job_name