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Sample simple PBS start script

#!/bin/sh
# Name of your run :
#PBS -N turbomole
#
# Number of nodes to run on:
#PBS -l nodes=4
#
# Export environment:
#PBS -V

# Set your TURBOMOLE pathes:

######## ENTER YOUR TURBOMOLE INSTALLATION PATH HERE ##########
export TURBODIR=/whereis/TURBOMOLE
###############################################################

export PATH=$TURBODIR/scripts:$PATH

## set locale to C
unset LANG
unset LC_CTYPE

# set stack size limit to unlimited:
ulimit -s unlimited

# Count the number of nodes
PBS_L_NODENUMBER=`wc -l < $PBS_NODEFILE`

# Check if this is a parallel job
if [ $PBS_L_NODENUMBER -gt 1 ]; then
##### Parallel job
# Set environment variables for a MPI job
    export PARA_ARCH=MPI
    export PATH="${TURBODIR}/bin/`sysname`:${PATH}"
    export PARNODES=`expr $PBS_L_NODENUMBER`
else
##### Sequentiel job
# set the PATH for Turbomole calculations
    export PATH="${TURBODIR}/bin/`sysname`:${PATH}"
fi

######## ENTER YOUR JOB HERE ##################################
jobex -ri > jobex.out
###############################################################



TURBOMOLE 15888