#!/bin/bash -l
#$ -S /bin/bash
#$ -l h_rt=24:0:0
#$ -l mem=2G
#$ -N name_20141114_cluster_HC
#$ -wd /home/ucbechz/Scratch/20141114_cluster_HC/output

module unload compilers/intel/11.1/072
module unload mpi/qlogic/1.2.7/intel
module unload mkl/10.2.5/035
module load compilers/gnu/4.6.3
module load python/2.6.9/gnu.4.6.3
module load rosetta/2014.34.57213

cd $TMPDIR

python clustering.py --pdb_list /home/ucbechz/Scratch/20141114_cluster_HC/input/list_of_pdbs.txt --rosetta cluster.linuxgccrelease --options /home/ucbechz/Scratch/20141114_cluster_HC/input/cluster.options cluster_summary.txt cluster_histogram.txt > cluster.log

# This copies all your results from TMPDIR back into Scratch. You can put them wherever you want in Scratch.
tar zcvf $HOME/Scratch/20141114_cluster_HC/output/files_from_job_$JOB_ID.tar.gz $TMPDIR