#!/bin/tcsh 

# This is needed for ICC variables, for some reason.
resoft
source ~/.cshrc

#PBS -l walltime=01:00:00

# nodes: number of 8-core nodes
#   ppn: how many cores per node to use (1 through 8)
#       (you are always charged for the entire node)
#PBS -l nodes=1:ppn=2
#PBS -V
#PBS -N analyze_py
#PBS -q lincoln
#PBS -o /u/ac/kw8cr/yank/proof-of-concept/yank/stdout.1
#PBS -e /u/ac/kw8cr/yank/proof-of-concept/yank/stderr.1


set echo               # echo commands before execution; use for debugging#

set JOBID=`echo $PBS_JOBID | cut -d'.' -f1`

#cd $SCR                # change to job scratch directory
                       # use cdjob <jobid> to go to this directory once
                       # the job has started

# Get executable and input files from mass storage
# **** IF THEY ARE STORED ON MSS ****
# otherwise copy your executable to $SCR(the job's scratch directory)
# Ex.   cp ~/subdir01/subdir02/a.out $SCR 
#msscmd cd dir1, get a.out, mget *.input

# mss doesn't keep executable bit set, so need to set it on program
#chmod +x a.out

#./a.out

# save output files back to mass storage
#msscmd mkdir Job.${JOBID},cd Job.${JOBID}, mput *

setenv JOBDIR /u/ac/kw8cr/yank/proof-of-concept/yank



date

# Change to job directory
cd $JOBDIR


#rm -f stdout stderr




python analyze.py

date