#!/bin/bash
#PBS -N mo-disl
#PBS -j oe
#PBS -l nodes=1:ppn=1,walltime=48:00:00
#PBS -V

### ---------------------------------------
### BEGINNING OF EXECUTION
### ---------------------------------------

echo The master node of this job is `hostname`
echo The working directory is `echo $PBS_O_WORKDIR`
echo This job runs on the following nodes:
echo `cat $PBS_NODEFILE`

ncpu=`cat $PBS_NODEFILE | wc -w`
echo "Number of processors = $ncpu "
### end of information preamble

cd $PBS_O_WORKDIR

echo $PWD


#bin/fs_intel scripts/work/mo_disl/mo_disl_core.tcl 0 0
#bin/fs_intel scripts/work/mo_disl/mo_disl_core.tcl 0 -90
bin/fs_intel scripts/work/mo_disl/mo_disl_core.tcl 0 -85.96


#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 0
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 -4.54
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 -4
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 -3
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 -2
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 -1.75
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 -1.5
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 -1.25
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 -1.125
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 -1
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 -0.75
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 -0.2
#
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 4.8
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 4.7
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 4.5
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 4.3
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 4.2
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 4
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 3.5
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 3
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 2.7
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 2.5
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 2.4
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 2
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 1.75
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 1.5
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 1
#bin/fs_intel scripts/work/mo_disl/mo_disl_peierls.tcl 0 0.2

#lamboot $PBS_NODEFILE # starts lam on the specified nodes
#cmd="mpiexec -np $ncpu bin/meam-lammps_mpich scripts/work/si_ge/si-meam-lammps.tcl"
#time $cmd 
#wipe $PBS_NODEFILE
