Docker: Add performance test

tools/docker/scripts/plot_performance.py

@@ -0,0 +1,60 @@
+#!/usr/bin/env python3
+
+# author: Ole Schuett
+
+import re
+import sys
+from collections import OrderedDict
+
+# ======================================================================================
+def main():
+    if len(sys.argv) != 5:
+        print("Usage: plot_performance.py <title> <label> <output_omp> <output_mpi>")
+        sys.exit(1)
+    title, label, output_omp, output_mpi = sys.argv[1:]
+
+    timings_omp = parse_timings(output_omp)
+    timings_mpi = parse_timings(output_mpi)
+    routines = list(timings_omp.keys())[:6]
+
+    full_title = f"Timings of {title} with OpenMP"
+    plot = f"{label}_timings"
+    print(f'Plot: name="{plot}", title="{full_title}", ylabel="time [s]"')
+    for r in routines:
+        t = timings_omp[r]
+        print(f'PlotPoint: plot="{plot}", name="{r}", label="{r}", y={t}, yerr=0.0')
+    print("")
+
+    full_title = f"Parallel Efficiency of {title}"
+    plot = f"{label}_scaling"
+    print(f'Plot: name="{plot}", title="{full_title}", ylabel="MPI / OMP time"')
+    for r in routines:
+        e = timings_mpi[r] / timings_omp[r]
+        print(f'PlotPoint: plot="{plot}", name="{r}", label="{r}", y={e}, yerr=0.0')
+
+
+# ======================================================================================
+def parse_timings(out_fn):
+    output = open(out_fn, encoding="utf8").read()
+
+    pattern = r"\n( -+\n - +-\n - +T I M I N G +-\n([^\n]*\n){4}.*? -+)\n"
+    report_lines = re.search(pattern, output, re.DOTALL).group(1).split("\n")[7:-1]
+
+    # Extract average self time.
+    timings = {}
+    for line in report_lines:
+        parts = line.split()
+        timings[parts[0]] = float(parts[3])
+
+    # Add total runtime.
+    assert report_lines[0].split()[0] == "CP2K"
+    timings["total"] = float(report_lines[0].split()[5])
+
+    # Sort by time, longest first.
+    return OrderedDict(sorted(timings.items(), reverse=True, key=lambda kv: kv[1]))
+
+
+# ======================================================================================
+main()
+
+# EOF