akmc_sp.sub format

[kambiz]

Hi dear all,

is the format of 'akmc_dynmat.sub' and 'akmc sp.sub' and 'akmc min.sub' should be exactly the same as submission file in VASP?

like this:

#!/bin/sh
#PBS -l walltime=...
#PBS -l cput=...
#PBS -l nodes=...:ppn=...
#PBS -j oe
#PBS -o ll_out
#PBS -N vasp
#PBS -m bea
#PBS -M E-mail address
#PBS -V

source /etc/profile.d/modules.sh
module load intel openmpi-intel pgi
cd $PBS_O_WORKDIR
cat $PBS_NODEFILE
export NN=`cat $PBS_NODEFILE | wc -l`
export VASP=/opt1/VASP_4.6/vasp.4.6/vasp_vtst
mpirun /opt1/VASP_4.6/vasp.4.6/vasp_vtst

cheers

[graeme]

Yes, that is right. You may need to customize these scripts for your specific machine, but they should be exactly as if you were to submit the job yourself.