add gromacs message parsing tool

Author: sjpb

tools/gromacs-msgs.py

@@ -0,0 +1,25 @@
+#!/usr/bin/env python
+
+import glob, pprint, re
+
+GROMACS_ERR_PATH = 'output/csd3/cclake-*-gcc9-ompi3-ucx/gromacs/*/*.err'
+
+PATTERNS = (
+    r'(step \d+ .* dynamic load balancing)',
+    r'(\d+ % of the run time was [\w\s]+)',
+)
+
+if __name__ == '__main__':
+    paths = glob.glob(GROMACS_ERR_PATH)
+
+    for p in paths:
+        descr = p.split('/')[4]
+        _, _, atoms, _, _, _, interconnect, _, _, _, nprocs, nppn = descr.split('_')
+        with open(p) as f:
+            for line in f:
+                for pat in PATTERNS:
+                    m = re.search(pat, line)
+                    if m:
+                        print(','.join((atoms, interconnect, nprocs, nppn, m.group(0))))
+
+    #pprint.pprint(descr)