#!/bin/sh
#QSUB -queue F18acc
#QSUB -node 1
#QSUB -mpi 1
#QSUB -omp 24
#QSUB -place pack
#QSUB -over false
#PBS -l walltime=24:00:00
#PBS -N TcneBenzen8Tcne-rhf
. /etc/profile.d/modules.sh
module load intel/16.0.3.210 intel-mkl/16.0.3.210 intel-mpi/5.1.3.210
module load cuda/7.0
OFMOPATH="/home/k0261/k026108/OpenFMO"
LIBRARY_PATH=${LD_LIBRARY_PATH}
cd ${PBS_O_WORKDIR}

date
set -x
${OFMOPATH}/skel-rhf -d 1 -B 0 TcneBenzen8Tcne-rhf.inp
set +x
date