#!/bin/tcsh -f

# example for 8 nodes
#PBS -l nodes=8:oneproc
#PBS -l walltime=124:0:0     

#This is necessary on my pbs cluster:
source .cshrc
setenv SCRATCH /scratch/

# change into your working directory
cd cdreo7

#start creating .machines
cat $PBS_NODEFILE |cut -c1-6 >.machines_current
set aa=`wc .machines_current`
echo '#' > .machines

# example for an MPI parallel lapw0 
echo -n 'lapw0:' >> .machines
set i=1
while ($i < $aa[1] )
echo -n `cat $PBS_NODEFILE |head -$i | tail -1` ' ' >>.machines
@ i ++
end
echo  `cat $PBS_NODEFILE |head -$i|tail -1` ' ' >>.machines

#example for k-point parallel lapw1/2
set i=1
while ($i <= $aa[1] )
echo -n '1:' >>.machines
head -$i .machines_current |tail -1 >> .machines
@ i ++
end
echo 'granularity:1' >>.machines
echo 'extrafine:1' >>.machines

#define here your WIEN2k command

run_lapw -p -i 40 -fc 1. -I