#!/bin/bash
#PBS -N si-melt
#PBS -j oe
#PBS -l nodes=1:ppn=1,walltime=160:00:00
#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/meam-lammps_intel scripts/work/si_au/si-melt.tcl 0
#bin/meam-lammps_intel scripts/work/si_au/si-melt.tcl 1
bin/meam-lammps_intel scripts/work/si_au/si-melt.tcl 3

#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
