#!/bin/bash -l
#SBATCH -p serial
#SBATCH -n 1
#SBATCH -t 2:30:00        # time as hh:mm:ss
#SBATCH -J tm631-serial-job
#SBATCH -e jobfile.err%J
#SBATCH -o jobfile.out%J
#SBATCH --mem-per-cpu=2000  # requested memory per process in MB
SDIR=`pwd`
echo "Submission directory is: $SDIR"
echo "The job ID assigned by the Batch system is: $LSB_JOBID"
export TURBOTMPDIR=$WRKDIR/TURBOTMPDIR.$SLURM_JOBID
mkdir -p $TURBOTMPDIR
module load turbomole/6.31
/usr/bin/time -p ridft > ridft.out
rm -rf $TURBOTMPDIR