54 lines
1.6 KiB
Bash
54 lines
1.6 KiB
Bash
#!/bin/bash
|
|
|
|
while getopts "a:f:n:r:x:y:z:" flag; do
|
|
case "${flag}" in
|
|
a) atoms_per_unit_cell=${OPTARG};;
|
|
f) frequency=${OPTARG};;
|
|
n) timesteps=${OPTARG};;
|
|
o) output_file=${OPTARG};;
|
|
r) nruns=${OPTARG};;
|
|
x) nx=${OPTARG};;
|
|
y) ny=${OPTARG};;
|
|
z) nz=${OPTARG};;
|
|
esac
|
|
done
|
|
|
|
EXEC="../MDBench-ICC-stub"
|
|
ATOMS_PER_UNIT_CELL="${atoms_per_unit_cell:-8}"
|
|
FREQUENCY="${frequency:-0.0}"
|
|
TIMESTEPS="${timesteps:-200}"
|
|
OUTPUT_FILE="${output_file:-run_results.txt}"
|
|
NRUNS="${nruns:-3}"
|
|
NX="${nx:-4}"
|
|
NY="${ny:-4}"
|
|
NZ="${nz:-2}"
|
|
|
|
for timesteps in ${TIMESTEPS}; do
|
|
for atoms_per_unit_cell in ${ATOMS_PER_UNIT_CELL}; do
|
|
for nx in ${NX}; do
|
|
for ny in ${NY}; do
|
|
for nz in ${NZ}; do
|
|
best_perf=
|
|
best_output=
|
|
for nruns in ${NRUNS}; do
|
|
output=$(
|
|
./${EXEC} -f ${FREQUENCY} -n ${timesteps} -na ${atoms_per_unit_cell} -nx ${nx} -ny ${ny} -nz ${nz} -csv |
|
|
grep -v steps
|
|
)
|
|
perf=$(echo $output | cut -d',' -f8)
|
|
if [ -z "$best_perf" ]; then
|
|
best_perf="$perf"
|
|
best_output="$output"
|
|
elif (( $(echo "$perf < $best_perf" | bc -l) )); then
|
|
best_perf="$perf"
|
|
best_output="$output"
|
|
fi
|
|
done
|
|
|
|
echo "${best_output}" | tee -a "${OUTPUT_FILE}"
|
|
done
|
|
done
|
|
done
|
|
done
|
|
done
|