#! /bin/sh
#PBS -S /bin/sh
#PBS -q arcturus
#PBS -l host=arcturus
# Arcturus has a minimum of 64 nodes per run. Up to 256.
#PBS -l ncpus=64
#PBS -l walltime=23:30:00
# All these nodes need lots of memory.
#PBS -l mem=60gb
#PBS -m bea
# Your email address.
#PBS -M ?@ucalgary.ca
#PBS -N ?jobname?

# Added to Database 9/6/05 Author: Natasha Galea

# You could also use the parameters file instead of all
# the values below.

ADFHOME=/scratch/seth/ADF/adf2004/adf.01
ADFBIN=$ADFHOME/bin
ADFRESOURCES=$ADFHOME/atomicdata
SCMLICENSE=/scratch/seth/ADF/adf2004/licence
NSCM=64
SCMSPAWNSCRIPT=$ADFBIN/adfs
SCMWISH=/usr/freeware/bin/wish8.0
GNUPLOT=/usr/freeware/bin/gnuplot
PVM_ROOT=/usr/people/pvm/pvm3
PVM_ARCH=SGI6
# The somewhat unusual tmp/scratch directory names
# here and below are necessary to prevent Arcturus from getting
# screwed up by the ADF calculations.
SCM_TMPDIR=/scratch_large/$USER
export ADFHOME ADFBIN ADFRESOURCES SCMLICENSE NSCM SCMSPAWNSCRIPT
export SCMWISH GNUPLOT PVM_ROOT PVM_ARCH TEMPDIR SCM_TMPDIR

# Clean up possible leftover files from a previous calculation
# This is necessary because the place where the scratch files are
# is not accessible from your login node.

rm -rf /var/tmp/kid*

export SCM_TMPDIR=/scratch_p2/wg-adf
cd /scratch_large/$USER/?choose_my_directory_name_here?
export OMP_NUM_THREADS=64
 $ADFBIN/adf -n 64 <my_input_file >my_output_file 2>&1