Add plot script and move scripts to util directory

Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>

util/plot_run_stub_data.py

@@ -0,0 +1,39 @@
+import matplotlib.pyplot as plt
+import sys
+
+vector_width = 8 # 8 doubles per zmm vector
+
+filename = sys.argv[1]
+output_file = filename.replace(".txt", ".pdf")
+fig = plt.figure()
+ax = plt.axes()
+plot_data = {}
+
+with open(filename, 'r') as fp:
+    for line in fp.readlines():
+        steps, unit_cells, atoms_per_unit_cell, total_atoms, total_vol, atoms_vol, neigh_vol, time, atom_upds_per_sec, cy_per_atom, cy_per_neigh = line.split(',')
+        atoms_per_unit_cell = int(atoms_per_unit_cell)
+        vol = float(neigh_vol)
+        cy_per_atom = float(cy_per_atom)
+
+        if atoms_per_unit_cell < 2048:
+            if atoms_per_unit_cell not in plot_data:
+                plot_data[atoms_per_unit_cell] = {}
+
+            cy_per_iter = cy_per_atom * vector_width / atoms_per_unit_cell
+            plot_data[atoms_per_unit_cell][vol] = cy_per_iter if vol not in plot_data[atoms_per_unit_cell] \
+                                                  else min(cy_per_iter, plot_data[atoms_per_unit_cell][vol])
+
+for atoms_per_unit_cell in plot_data:
+    volumes = list(plot_data[atoms_per_unit_cell].keys())
+    volumes.sort()
+    cycles = [plot_data[atoms_per_unit_cell][vol] for vol in volumes]
+    ax.plot(volumes, cycles, marker='.', label=str(atoms_per_unit_cell))
+
+ax.vlines([32, 1000, 28000], 0, 1, transform=ax.get_xaxis_transform(), linestyles='dashed', color=['#444444', '#777777', '#aaaaaa'])
+ax.set(xlabel='Neighbor data volume (kB)', ylabel='Cycles per iteration')
+ax.set_xscale('log')
+#ax.set_xticks([32, 1000, 28000])
+#ax.set_xlim(0, 200000)
+plt.legend(title="atoms/uc")
+fig.savefig(output_file, bbox_inches = 'tight', pad_inches = 0)

util/run_stub.sh

@@ -0,0 +1,54 @@
+#!/bin/bash
+
+while getopts "a:f:n:o: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="invalid"
+                    for nruns in ${NRUNS}; do
+                        output=$(
+                            ./${EXEC} -f ${FREQUENCY} -n ${timesteps} -na ${atoms_per_unit_cell} -nx ${nx} -ny ${ny} -nz ${nz} -csv |
+                            grep -v steps |
+                            grep -iv resize
+                        )
+                        perf=$(echo $output | cut -d',' -f8)
+                        if [ -z "$best_perf" ]; then
+                            best_perf="$perf"
+                            best_output="$output"
+                        elif (( $(echo "$perf > 0.0 && $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