#!/bin/bash
#PBS -jeo
#PBS -r n
#PBS -l nodes=1:ppn=1

date
hostname
echo $PBS_JOBNAME

export OMP_NUM_THREADS=$PBS_NUM_PPN
export MOPAC_LICENSE=/home/Andriy.Zhugayevych/local/mopac
export RUN_DIR=~/mopac
cd ${RUN_DIR}

/home/Andriy.Zhugayevych/local/mopac/MOPAC2012.exe $PBS_JOBNAME.mop >$PBS_JOBNAME.stdout 2>&1

date