#!/bin/bash
#BSUB -n 8
#BSUB -W 1:00
#BSUB -J adftest_8
#BSUB -e adf.e_%J
#BSUB -o adf.o_%J
#BSUB -N

module load adf/2009.01
SDIR=`pwd`
export SCM_TMPDIR=$WRKDIR/adf/$LSB_JOBID
mkdir -p $SCM_TMPDIR

echo "Date is `date`"
echo "Submission directory is $SDIR"

$ADFBIN/adf << eor > adf.out
Title WATER Geometry Optimization with Delocalized Coordinates

Atoms
    O             0.000000     0.000000     0.000000
    H             0.000000    -0.689440    -0.578509
    H             0.000000     0.689440    -0.578509
End

Basis
 Type TZ2P
 Core Small
End

Geometry
  Optim Deloc
End

End Input
eor