Merge pull request #2390 from pshriwise/restart-fixes

Updates to batch checks for simulation restarts

openmc/executor.py

@@ -1,5 +1,6 @@
 from collections.abc import Iterable
 from numbers import Integral
+import os
 import subprocess
 
 import openmc
@@ -23,7 +24,7 @@ def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
         Number of particles to simulate per generation.
     plot : bool, optional
         Run in plotting mode. Defaults to False.
-    restart_file : str, optional
+    restart_file : str or PathLike
         Path to restart file to use
     threads : int, optional
         Number of OpenMP threads. If OpenMC is compiled with OpenMP threading
@@ -42,7 +43,7 @@ def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
     mpi_args : list of str, optional
         MPI execute command and any additional MPI arguments to pass,
         e.g., ['mpiexec', '-n', '8'].
-    path_input : str or Pathlike
+    path_input : str or PathLike
         Path to a single XML file or a directory containing XML files for the
         OpenMC executable to read.
 
@@ -73,8 +74,8 @@ def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
         if event_based:
             args.append('-e')
 
-    if isinstance(restart_file, str):
-        args += ['-r', restart_file]
+    if isinstance(restart_file, (str, os.PathLike)):
+        args += ['-r', str(restart_file)]
 
     if tracks:
         args.append('-t')
@@ -230,7 +231,7 @@ def calculate_volumes(threads=None, output=True, cwd='.',
     cwd : str, optional
         Path to working directory to run in. Defaults to the current working
         directory.
-    path_input : str or Pathlike
+    path_input : str or PathLike
         Path to a single XML file or a directory containing XML files for the
         OpenMC executable to read.
 
@@ -270,7 +271,7 @@ def run(particles=None, threads=None, geometry_debug=False,
         :envvar:`OMP_NUM_THREADS` environment variable).
     geometry_debug : bool, optional
         Turn on geometry debugging during simulation. Defaults to False.
-    restart_file : str, optional
+    restart_file : str or PathLike
         Path to restart file to use
     tracks : bool, optional
         Enables the writing of particles tracks. The number of particle tracks
@@ -291,7 +292,7 @@ def run(particles=None, threads=None, geometry_debug=False,
 
         .. versionadded:: 0.12
 
-    path_input : str or Pathlike
+    path_input : str or PathLike
         Path to a single XML file or a directory containing XML files for the
         OpenMC executable to read.
 

openmc/filter.py

@@ -258,6 +258,8 @@ class Filter(IDManagerMixin, metaclass=FilterMeta):
 
         """
         filter_type = elem.get('type')
+        if filter_type is None:
+            filter_type = elem.find('type').text
 
         # If the filter type matches this class's short_name, then
         # there is no overridden from_xml_element method

openmc/geometry.py

@@ -278,7 +278,7 @@ class Geometry:
 
         """
 
-        # Using str and os.Pathlike here to avoid error when using just the imported PathLike
+        # Using str and os.PathLike here to avoid error when using just the imported PathLike
         # TypeError: Subscripted generics cannot be used with class and instance checks
         check_type('materials', materials, (str, os.PathLike, openmc.Materials))
 

openmc/model/model.py

@@ -248,7 +248,7 @@ class Model:
 
         Parameters
         ----------
-        path : str or Pathlike
+        path : str or PathLike
             Path to model.xml file
         """
         tree = ET.parse(path)
@@ -473,7 +473,7 @@ class Model:
 
         Parameters
         ----------
-        path : str or Pathlike
+        path : str or PathLike
             Location of the XML file to write (default is 'model.xml'). Can be a
             directory or file path.
         remove_surfs : bool
@@ -620,7 +620,7 @@ class Model:
             value set by the :envvar:`OMP_NUM_THREADS` environment variable).
         geometry_debug : bool, optional
             Turn on geometry debugging during simulation. Defaults to False.
-        restart_file : str, optional
+        restart_file : str or PathLike
             Path to restart file to use
         tracks : bool, optional
             Enables the writing of particles tracks. The number of particle

src/simulation.cpp

@@ -236,7 +236,7 @@ int openmc_next_batch(int* status)
 
   // Check simulation ending criteria
   if (status) {
-    if (simulation::current_batch == settings::n_max_batches) {
+    if (simulation::current_batch >= settings::n_max_batches) {
       *status = STATUS_EXIT_MAX_BATCH;
     } else if (simulation::satisfy_triggers) {
       *status = STATUS_EXIT_ON_TRIGGER;

src/state_point.cpp

@@ -403,9 +403,11 @@ void load_state_point()
   // Read batch number to restart at
   read_dataset(file_id, "current_batch", simulation::restart_batch);
 
-  if (simulation::restart_batch > settings::n_batches) {
-    fatal_error("The number batches specified in settings.xml is fewer "
-                " than the number of batches in the given statepoint file.");
+  if (simulation::restart_batch >= settings::n_max_batches) {
+    fatal_error(fmt::format(
+      "The number of batches specified for simulation ({}) is smaller"
+      " than the number of batches in the restart statepoint file ({})",
+      settings::n_max_batches, simulation::restart_batch));
   }
 
   // Logical flag for source present in statepoint file

tests/regression_tests/statepoint_restart/test.py

@@ -1,11 +1,11 @@
-import glob
-import os
+from pathlib import Path
 
 import openmc
+import pytest
 
 from tests.testing_harness import TestHarness
 from tests.regression_tests import config
-
+from tests import cdtemp
 
 class StatepointRestartTestHarness(TestHarness):
     def __init__(self, final_sp, restart_sp):
@@ -42,7 +42,7 @@ class StatepointRestartTestHarness(TestHarness):
 
     def _run_openmc_restart(self):
         # Get the name of the statepoint file.
-        statepoint = glob.glob(os.path.join(os.getcwd(), self._restart_sp))
+        statepoint = list(Path.cwd().glob(self._restart_sp))
         assert len(statepoint) == 1
         statepoint = statepoint[0]
 
@@ -59,3 +59,26 @@ def test_statepoint_restart():
     harness = StatepointRestartTestHarness('statepoint.10.h5',
                                            'statepoint.07.h5')
     harness.main()
+
+
+def test_batch_check(request):
+    xmls = list(request.path.parent.glob('*.xml'))
+
+    with cdtemp(xmls):
+        model = openmc.Model.from_xml()
+        model.settings.particles = 100
+        # run the model
+        sp_file = model.run()
+
+        # run a restart with the resulting statepoint
+        # and the settings unchanged
+        with pytest.raises(RuntimeError, match='is smaller than the number of batches'):
+            model.run(restart_file=sp_file)
+
+        # update the number of batches and run again
+        model.settings.batches = 15
+        model.settings.statepoint = {}
+        sp_file = model.run(restart_file=sp_file)
+
+        sp = openmc.StatePoint(sp_file)
+        assert sp.n_batches == 15