Gaussian Job Scripts
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The following is a sample bash submission script. It automatically detects the CPU type of the machine that your job runs and choose the appropriate version of Gaussian for better performance.
#!/bin/bash
#
#PBS -r n
#PBS -N dock6
#PBS -o stdout
#PBS -e stderr
#PBS -j oe
#PBS -m abe
#PBS -M scjahn@ufl.edu
#PBS -l nodes=1:ppn=8
#PBS -l walltime=60:00:00
#PBS -l pmem=800mb
module load intel
module load openmpi
module load dock
cd $PBS_O_WORKDIR
mpiexec dock6 -i highscore3.in -v -o highscore3.out