!/bin/bash
########################################################################
# SUN Grid Engine job wrapper
# parallel job on opteron queue
########################################################################
#$ -N feas2
#$ -pe mpi 1
#$ -q wp7m
#$ -j y
##$ -M kyoo@physics.rutgers.edu
#$ -m e
##$ -v LMTO_DMFT_ROOT,LD_LIBRARY_PATH
#$ -v LD_LIBRARY_PATH
########################################################################
# DON'T remove the following line!
source $TMPDIR/sge_init.sh
########################################################################
#export PATH=/opt/mpich2-gnu/bin:$PATH
#export LMTO_DMFT_ROOT=/home/kyoo/lmto_dmft/bin
#source /etc/profile.d/mklvarsem32t.sh
#source /etc/profile.d/mklvarsem64t.sh
#source /etc/profile.d/ifortvars.sh

export WIENROOT=/home/users/jtomczak/wien2k
##export STRUCTEDIT_PATH=$WIENROOT/SRC_structeditor/bin
export PATH=$WIENROOT:$PATH

echo $PATH

###$STRUCTEDIT_PATH:.


##export PATH=/mnt/home/users/jtomczak/PRO/wien2k:$PATH
JOBNAME="FeAs2";export JOBNAME
echo $JOBNAME
mkdir $JOBNAME
cp * $JOBNAME
cd $JOBNAME

echo '#' > .machines
for nodes in `cat $TMPDIR/machines`
do
  echo "1: " "$nodes " >> .machines
done

/home/users/jtomczak/BoltzTraP/x_trans BoltzTraP
cp FeAs2.trace FeAs2.trace_true
cp FeAs2.condtens FeAs2.condtens_true

cp FeAs2.intrans_0.05 FeAs2.intrans
/home/users/jtomczak/BoltzTraP/x_trans BoltzTraP
cp FeAs2.trace FeAs2.trace_0.05
cp FeAs2.condtens FeAs2.condtens_0.05

cp FeAs2.intrans_0.1 FeAs2.intrans
/home/users/jtomczak/BoltzTraP/x_trans BoltzTraP
cp FeAs2.trace FeAs2.trace_0.1
cp FeAs2.condtens FeAs2.condtens_0.1

cp FeAs2.intrans_0.15 FeAs2.intrans
/home/users/jtomczak/BoltzTraP/x_trans BoltzTraP
cp FeAs2.trace FeAs2.trace_0.15
cp FeAs2.condtens FeAs2.condtens_0.15


cp FeAs2.intrans_0.2 FeAs2.intrans
/home/users/jtomczak/BoltzTraP/x_trans BoltzTraP
cp FeAs2.trace FeAs2.trace_0.2
cp FeAs2.condtens FeAs2.condtens_0.2

cp FeAs2.intrans_0.25 FeAs2.intrans
/home/users/jtomczak/BoltzTraP/x_trans BoltzTraP
cp FeAs2.trace FeAs2.trace_0.25
cp FeAs2.condtens FeAs2.condtens_0.25

cp FeAs2.intrans_0.3 FeAs2.intrans
/home/users/jtomczak/BoltzTraP/x_trans BoltzTraP
cp FeAs2.trace FeAs2.trace_0.3
cp FeAs2.condtens FeAs2.condtens_0.3

cp FeAs2.intrans_0.4 FeAs2.intrans
/home/users/jtomczak/BoltzTraP/x_trans BoltzTraP
cp FeAs2.trace FeAs2.trace_0.4
cp FeAs2.condtens FeAs2.condtens_0.4

mv * ..
cd ..
rm -r $JOBNAME