#!/bin/bash
#
# This is only a sample script to run all the relevant QA test cases.
#
# You will at least need to change NWCHEM_TARGET to match the target for your
# system. If you system is managed using a queueing system, additional settings
# for this will be needed. Please see the local documentation on your set up
# for details.
#
# In addition you may need to specify additional setting for libraries or you
# may need to load special modules. Please, check local documentation for
# guidance.
#
export NWCHEM_TOP=`pwd`/..
export NWCHEM_TARGET=LINUX64
export NWCHEM_TEST=${NWCHEM_TOP}/QA/tests
export NWCHEM_EXECUTABLE=$NWCHEM_TOP/bin/$NWCHEM_TARGET/nwchem
export PARALLEL_PATH=$NWCHEM_TOP/bin/$NWCHEM_TARGET/parallel
#export TCGRSH=/bin/bash
nproc=1
./domknwchemrc
./domdtests $nproc
./doqmtests $nproc
./dormnwchemrc
