#!/usr/bin/env bash
#MSUB -A mscfops
#MSUB -l "walltime=8:00:00"
#MSUB -l "nodes=2:ppn=8"
#MSUB -m ae
#MSUB -o doNightlyTests.out
#MSUB -e doNightlyTests.err
#MSUB -N doNightlyTests
#
source /etc/profile.d/modules.bash
#source /home/scicons/bin/set_modulepath.sh
module purge
module load precision/i8
module load portland
module load hpmpi
module load acml
module load moab
module load python
export NWCHEM_TOP=`pwd`/..
bcastf $NWCHEM_TOP/bin/LINUX64/nwchem /scratch/nwchem
export NONSTD_MPI=y
export MPIRUN_PATH="mpirun -srun -n 8 -N 2 --ntasks-per-node=4"
./doNightlyTests.mpi