Add scan_split option to mcrun

Adds scan_split option to mcrun, to optimise scans made up of many short runs. Uses mpi to multipool each process, instead of the big process, such that IO bound processes can be parallelized instead.

Author: Lomholy

tools/Python/mcrun/mcrun.py

@@ -11,9 +11,9 @@
 from optparse import OptionParser, OptionGroup, OptionValueError
 from decimal import Decimal, InvalidOperation
 from datetime import datetime
-
+import multiprocessing
 from mccode import McStas, Process
-from optimisation import Scanner, LinearInterval, MultiInterval, Optimizer
+from optimisation import Scanner, Scanner_split, LinearInterval, MultiInterval, Optimizer
 
 # import config
 import sys
@@ -224,6 +224,11 @@ def add_mcrun_options(parser):
         default="",
     )
 
+    add("--scan_split",
+        type=int,
+        metavar="scan_split",
+        help='Scanning over a variable is split onto individual cpu threads')
+
     #    --optimize-maxiter maxiter  max iter of optimization
     #    --tol tol          tolerance criteria to end the optimization
     #    --method method    Method to maximize the intensity in ['nelder-mead', 'powell', 'cg', 'bfgs', 'newton-cg', 'l-bfgs-b', 'tnc', 'cobyla', 'slsqp', 'trust-constr', 'dogleg', 'trust-ncg', 'trust-exact', 'trust-krylov']
@@ -259,15 +264,11 @@ def add_mcstas_options(parser):
 
     add('-n', '--ncount',
         metavar='COUNT', type=float, default=1000000,
-        help='Set number of %ss to simulate' % (mccode_config.configuration["PARTICLE"]))
+        help='Set number of %s to simulate' % (mccode_config.configuration["PARTICLE"]))
 
     add('-t', '--trace',
         metavar='trace', type=int, default=0,
-        help='Enable trace of %ss through instrument' % (mccode_config.configuration["PARTICLE"]))
-
-    add('--no-trace',
-        action='store_true', metavar='notrace', default=None,
-        help='Disable trace of %ss in instrument (combine with -c)' % (mccode_config.configuration["PARTICLE"]))
+        help='Enable trace of %s through instrument' % (mccode_config.configuration["PARTICLE"]))
 
     add('-y', '--yes',
         action='store_true', default=False,
@@ -574,13 +575,28 @@ def main():
     elif options.numpoints is not None:
         interval_points = LinearInterval.from_range(options.numpoints, intervals)
 
+
+    # Check that mpi and scan split are not both used. Default to mpi if they are
+    if options.scan_split is not None and options.mpi is not None:
+        options.scan_split = None
+        
     # Parameters for linear scanning present
-    if interval_points:
+    if interval_points and (options.scan_split is None):
         scanner = Scanner(mcstas, intervals)
         scanner.set_points(interval_points)
         if (not options.dir == ''):
             mkdir(options.dir)
         scanner.run()  # in optimisation.py
+
+    elif options.scan_split is not None:
+        if options.scan_split == 0:
+            options.scan_split = multiprocessing.cpu_count()-1
+        split_scanner = Scanner_split(mcstas, intervals, options.scan_split)
+        split_scanner.set_points(interval_points)
+        if (not options.dir == ''):
+            mkdir(options.dir)
+        split_scanner.run()  # in optimisation.py
+
     elif options.optimize:
         optimizer = Optimizer(mcstas, intervals)
         if (not options.dir == ''):