Aqwa Batch Execution Locating The Executable

<jobname> is the .DAT file base name without extension. All output files are written to the working directory as <jobname>.*.

Command File for Sequencing Multiple Jobs

# Create a .com file listing jobnames, one per line
echo -e "stage1\nstage2\nstage3" > mylist.com

# Run all jobs in sequence
${AQWA_EXE} std mylist.com

Checking Exit Status and Success

${AQWA_EXE} std analysis
# Exit code is unreliable — check output files instead:

if grep -qi "error\|fatal\|abort" analysis.mes 2>/dev/null; then
    echo "AQWA FAILED — check analysis.mes and analysis.lis"
    exit 1
elif [ -f analysis.res ] && [ -f analysis.plt ]; then
    echo "AQWA SUCCEEDED"
else
    echo "AQWA INCOMPLETE — check analysis.mes"
    exit 1
fi

Full Two-Stage Pipeline Script

#!/usr/bin/env bash
set -euo pipefail

AQWA_EXE=/ansys_inc/v251/aqwa/bin/lnx64/Aqwa
JOBNAME=${1:-analysis}

check_run() {
    local job=$1
    if grep -qi "error\|fatal" ${job}.mes 2>/dev/null; then
        echo "FAILED: ${job}"; cat ${job}.mes; exit 1
    fi
    [ -f ${job}.res ] || { echo "FAILED: no .res for ${job}"; exit 1; }
    echo "OK: ${job}"
}

echo "=== Stage 1: AQWA-LINE (diffraction) ==="
# JOB card in ${JOBNAME}.DAT must read: JOB analysis LINE
${AQWA_EXE} std ${JOBNAME}
check_run ${JOBNAME}

echo "=== Stage 3: AQWA-NAUT (time domain) ==="
# Separate .DAT with JOB card: JOB analysis NAUT + RESTART 3 3
cp ${JOBNAME}.dat ${JOBNAME}_naut.dat
# (edit RESTART record to 3 3 and JOB code to NAUT before running)
${AQWA_EXE} restart ${JOBNAME}_naut
check_run ${JOBNAME}_naut

echo "Pipeline complete."