#!/usr/bin/env bash
#SBATCH -A NWCHEM
#SBATCH -t 08:00:00
#SBATCH -N 1 
#SBATCH -o doNightlyTests.output.%j
#SBATCH -e doNightlyTests.err.%j
#SBATCH -J doNightlyTests
#
source /etc/profile.d/modules.sh
export NWCHEM_TOP=`pwd`/..
srun --ntasks-per-node=1 --mpi=none --wait=600 cp $NWCHEM_TOP/bin/LINUX64/nwchem /scratch/nwchem

export ARMCI_DEFAULT_SHMMAX=8192
export MV2_ENABLE_AFFINITY=1
export MV2_CPU_MAPPING='1:3:5:7:9:11:13:15:17:19:21:23:25:27:29:31:0:2:4:6:8:10:12:14:16:18:20:22:24:26:28:30'

export NONSTD_MPI=y
export MPIRUN_PATH="srun --ntasks-per-node=8 -N 1 --mpi=none"
./doNightlyTests.mpi
