#!/bin/sh . ../program_error.sh if [ "$DO_PARALLEL" != "" ]; then NAB="mpinab" else NAB="nab" fi echo "Running test to do simple minimization" echo "(this tests the molecular mechanics interface)" echo "" ../../bin/$NAB -o sff ltest.nab || error $DO_PARALLEL ./sff > ltest.out || error ../dacdif ltest.out.check ltest.out rm -f sff ltest.c exit 0