mirror of
https://github.com/openmc-dev/openmc.git
synced 2026-07-27 21:55:41 -04:00
Moved the dummy communicator to being within openmc vice openmc.deplete, added test of model.calculate_volumes and model.deplete, fixed issues identified from those tests, and added a DLL quieting method (still needs to be propagated to integrator.integrate
This commit is contained in:
agnelson
parent
dc80b799ac
commit
ad483b3fea
14 changed files with 407 additions and 284 deletions
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@ -30,8 +30,10 @@ from openmc.plotter import *
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from openmc.search import *
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from openmc.polynomial import *
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from . import examples
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from openmc.mpi import DummyCommunicator, MPI, comm
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# Import a few names from the model module
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from openmc.model import rectangular_prism, hexagonal_prism, Model
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__version__ = '0.13.0-dev'
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@ -4,17 +4,6 @@ openmc.deplete
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A depletion front-end tool.
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"""
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import sys
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from unittest.mock import Mock
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from .dummy_comm import DummyCommunicator
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try:
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from mpi4py import MPI
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comm = MPI.COMM_WORLD
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except ImportError:
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MPI = Mock()
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comm = DummyCommunicator()
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from .nuclide import *
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from .chain import *
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@ -22,7 +22,7 @@ from uncertainties import ufloat
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from openmc.data import DataLibrary
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from openmc.lib import MaterialFilter, Tally
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from openmc.checkvalue import check_type, check_greater_than
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from . import comm
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from openmc import comm
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from .results import Results
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from .chain import Chain
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from .results_list import ResultsList
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@ -10,7 +10,7 @@ import sys
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from numpy import dot, zeros, newaxis, asarray
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from . import comm
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from openmc import comm
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from openmc.checkvalue import check_type, check_greater_than
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from openmc.data import JOULE_PER_EV, REACTION_MT
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from openmc.lib import (
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@ -20,7 +20,7 @@ from uncertainties import ufloat
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import openmc
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from openmc.checkvalue import check_value
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import openmc.lib
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from . import comm
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from openmc import comm
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from .abc import TransportOperator, OperatorResult
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from .atom_number import AtomNumber
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from .reaction_rates import ReactionRates
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@ -176,6 +176,9 @@ class Operator(TransportOperator):
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results are to be used.
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diff_burnable_mats : bool
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Whether to differentiate burnable materials with multiple instances
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cleanup_when_done : bool
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Whether to finalize and clear the shared library memory when the
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depletion operation is complete. Defaults to clearing the library.
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"""
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_fission_helpers = {
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"average": AveragedFissionYieldHelper,
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@ -202,7 +205,7 @@ class Operator(TransportOperator):
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self.settings = settings
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self.geometry = geometry
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self.diff_burnable_mats = diff_burnable_mats
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self._cleanup_when_done = True
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self.cleanup_when_done = True
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# Reduce the chain before we create more materials
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if reduce_chain:
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@ -318,6 +321,10 @@ class Operator(TransportOperator):
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# Reset results in OpenMC
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openmc.lib.reset()
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# Update the number densities regardless of the source rate
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self.number.set_density(vec)
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self._update_materials()
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# If the source rate is zero, return zero reaction rates without running
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# a transport solve
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if source_rate == 0.0:
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@ -328,11 +335,7 @@ class Operator(TransportOperator):
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# Prevent OpenMC from complaining about re-creating tallies
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openmc.reset_auto_ids()
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# Update status
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self.number.set_density(vec)
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# Update material compositions and tally nuclides
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self._update_materials()
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# Update tally nuclides data in preparation for transport solve
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nuclides = self._get_tally_nuclides()
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self._rate_helper.nuclides = nuclides
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self._normalization_helper.nuclides = nuclides
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@ -556,7 +559,7 @@ class Operator(TransportOperator):
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def finalize(self):
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"""Finalize a depletion simulation and release resources."""
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if self._cleanup_when_done:
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if self.cleanup_when_done:
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openmc.lib.finalize()
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def _update_materials(self):
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@ -9,7 +9,7 @@ import copy
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import h5py
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import numpy as np
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from . import comm, MPI
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from openmc import comm, MPI
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from .reaction_rates import ReactionRates
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VERSION_RESULTS = (1, 1)
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@ -2,6 +2,7 @@ from contextlib import contextmanager
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from ctypes import (c_bool, c_int, c_int32, c_int64, c_double, c_char_p,
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c_char, POINTER, Structure, c_void_p, create_string_buffer)
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import sys
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import os
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import numpy as np
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from numpy.ctypeslib import as_array
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@ -110,9 +111,14 @@ def global_bounding_box():
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return llc, urc
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def calculate_volumes():
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def calculate_volumes(output=True):
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"""Run stochastic volume calculation"""
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_dll.openmc_calculate_volumes()
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if output:
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_dll.openmc_calculate_volumes()
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else:
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with quiet_dll():
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_dll.openmc_calculate_volumes()
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def current_batch():
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@ -127,13 +133,17 @@ def current_batch():
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return c_int.in_dll(_dll, 'current_batch').value
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def export_properties(filename=None):
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def export_properties(filename=None, output=True):
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"""Export physical properties.
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.. versionchanged:: 0.13.0
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Parameters
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----------
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filename : str or None
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Filename to export properties to (defaults to "properties.h5")
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output: bool, optional
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Whether or not to show output. Defaults to showing output
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See Also
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--------
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@ -142,7 +152,11 @@ def export_properties(filename=None):
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"""
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if filename is not None:
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filename = c_char_p(filename.encode())
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_dll.openmc_properties_export(filename)
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if output:
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_dll.openmc_properties_export(filename)
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else:
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with quiet_dll():
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_dll.openmc_properties_export(filename)
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def finalize():
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@ -220,15 +234,19 @@ def import_properties(filename):
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_dll.openmc_properties_import(filename.encode())
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def init(args=None, intracomm=None):
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def init(args=None, intracomm=None, output=True):
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"""Initialize OpenMC
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.. versionchanged:: 0.13.0
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Parameters
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----------
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args : list of str
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args : list of str, optional
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Command-line arguments
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intracomm : mpi4py.MPI.Intracomm or None
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intracomm : mpi4py.MPI.Intracomm or None, optional
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MPI intracommunicator
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output: bool, optional
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Whether or not to show output. Defaults to showing output
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"""
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if args is not None:
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@ -254,7 +272,11 @@ def init(args=None, intracomm=None):
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address = MPI._addressof(intracomm)
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intracomm = c_void_p(address)
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_dll.openmc_init(argc, argv, intracomm)
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if output:
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_dll.openmc_init(argc, argv, intracomm)
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else:
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with quiet_dll():
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_dll.openmc_init(argc, argv, intracomm)
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openmc.lib.is_initialized = True
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@ -345,9 +367,22 @@ def next_batch():
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return status.value
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def plot_geometry():
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"""Plot geometry"""
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_dll.openmc_plot_geometry()
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def plot_geometry(output=True):
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"""Plot geometry
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.. versionchanged:: 0.13.0
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Parameters
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----------
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output: bool, optional
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Whether or not to show output. Defaults to showing output
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"""
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if output:
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_dll.openmc_plot_geometry()
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else:
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with quiet_dll():
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_dll.openmc_plot_geometry()
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def reset():
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@ -360,9 +395,22 @@ def reset_timers():
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_dll.openmc_reset_timers()
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def run():
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"""Run simulation"""
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_dll.openmc_run()
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def run(output=True):
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"""Run simulation
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.. versionchanged:: 0.13.0
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Parameters
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----------
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output: bool, optional
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Whether or not to show output. Defaults to showing output
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"""
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if output:
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_dll.openmc_run()
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else:
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with quiet_dll():
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_dll.openmc_run()
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def simulation_init():
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@ -478,3 +526,30 @@ class _FortranObjectWithID(_FortranObject):
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# assigned. If the array index of the object is out of bounds, an
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# OutOfBoundsError will be raised here by virtue of referencing self.id
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self.id
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@contextmanager
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def quiet_dll():
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"""This context manager allows us to suppress standard output from DLLs"""
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sys.stdout.flush()
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# Save the initial file descriptor states
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initial_stdout = sys.stdout
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initial_stdout_fno = os.dup(sys.stdout.fileno())
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# Get a garbage descriptor so we can throw away output
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devnull = os.open(os.devnull, os.O_WRONLY)
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# Get the current stdout stream and make a duplicate of it
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new_stdout = os.dup(1)
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# Copy the garbage output to the stdout stream
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os.dup2(devnull, 1)
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os.close(devnull)
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# Now point stdout to the re-defined stdout
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sys.stdout = os.fdopen(new_stdout, 'w')
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try:
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yield
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finally:
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# Now we just clean up after ourselves and reset the streams
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sys.stdout = initial_stdout
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sys.stdout.flush()
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os.dup2(initial_stdout_fno, 1)
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@ -191,17 +191,11 @@ class Model:
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@intracomm.setter
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def intracomm(self, intracomm):
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try:
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from mpi4py import MPI
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mpi_avail = True
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except ImportError:
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mpi_avail = False
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if intracomm is None or not mpi_avail:
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# TODO: move dummy_comm from openmc.deplete to openmc
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from openmc.deplete.dummy_comm import DummyCommunicator
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self._intracomm = DummyCommunicator()
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if intracomm is None:
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self._intracomm = openmc.comm
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else:
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check_type('intracomm', intracomm, MPI.Comm)
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check_type('intracomm', intracomm,
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(openmc.MPI.Comm, openmc.DummyCommunicator))
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self._intracomm = intracomm
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@classmethod
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@ -263,25 +257,12 @@ class Model:
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# where it exists (here in init), but in the future the functionality
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# should be exposed so that it can be accessed via model.run(...)
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# TODO: the output flag is not yet implemented for the openmc.lib.init
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# command. This will be the subject of future work.
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args = []
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if isinstance(threads, Integral) and threads > 0:
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args += ['-s', str(threads)]
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if geometry_debug:
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args.append('-g')
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if event_based:
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args.append('-e')
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if isinstance(restart_file, str):
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args += ['-r', restart_file]
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if tracks:
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args.append('-t')
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args = openmc.process_CLI_arguments(
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volume=False, geometry_debug=geometry_debug,
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restart_file=restart_file, threads=threads, tracks=tracks,
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event_based=event_based)
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# Args adds the openmc_exec command in the first entry; remove it
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args = args[1:]
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self.finalize_lib()
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@ -289,7 +270,13 @@ class Model:
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self.export_to_xml()
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self.intracomm.barrier()
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openmc.lib.init(args=args, intracomm=self.intracomm)
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if isinstance(self.intracomm, openmc.DummyCommunicator):
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# openmc.lib.init does not accept DummyCommunicator, and importing
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# the DummyCommunicator class is overkill. Filter it here
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intracomm = None
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else:
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intracomm = self.intracomm
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openmc.lib.init(args=args, intracomm=intracomm, output=output)
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def finalize_lib(self):
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"""Finalize simulation and free memory allocated for the C API
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@ -301,7 +288,7 @@ class Model:
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openmc.lib.finalize()
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def deplete(self, timesteps, method='cecm', final_step=True,
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operator_kwargs=None, integrator_kwargs=None, directory='.'):
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operator_kwargs=None, directory='.', **integrator_kwargs):
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"""Deplete model using specified timesteps/power
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.. versionchanged:: 0.13.0
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@ -320,25 +307,34 @@ class Model:
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operator_kwargs : dict
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Keyword arguments passed to the depletion Operator initializer
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(e.g., :func:`openmc.deplete.Operator`)
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integrator_kwargs : dict
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Keyword arguments passed to the depletion Operator initializer
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(e.g., :func:`openmc.deplete.integrator.cecm`)
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directory : str, optional
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Directory to write XML files to. If it doesn't exist already, it
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will be created. Defaults to the current working directory
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**kwargs
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Keyword arguments passed to integration function (e.g.,
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:func:`openmc.deplete.integrator.cecm`)
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integrator_kwargs : dict
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Remaining keyword arguments passed to the depletion Integrator
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initializer (e.g., :func:`openmc.deplete.integrator.cecm`).
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"""
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if operator_kwargs is None:
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op_kwargs = {}
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elif isinstance(operator_kwargs, dict):
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op_kwargs = operator_kwargs
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else:
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msg = "operator_kwargs must be a dict or None"
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raise ValueError(msg)
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# Import openmc.deplete here so the Model can be used even if the
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# shared library is unavailable.
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import openmc.deplete as dep
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# Store whether or not the library was initialized when we started
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started_initialized = self.is_initialized
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with _change_directory(Path(directory)):
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depletion_operator = \
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dep.Operator(self.geometry, self.settings, **operator_kwargs)
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dep.Operator(self.geometry, self.settings, **op_kwargs)
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# Tell depletion_operator.finalize NOT to clear C API memory when
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# it is done
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depletion_operator.cleanup_when_done = False
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@ -351,13 +347,9 @@ class Model:
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**integrator_kwargs)
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# Now perform the depletion
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# TODO: add output parameter to integrate
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integrator.integrate(final_step)
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# If we did not perform a transport calculation on the final step,
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# then make the code update the C API material inventory
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if not final_step:
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depletion_operator._update_materials()
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# Now make the python Materials match the C API material data
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for mat_id, mat in self._materials_by_id.items():
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if mat.depletable:
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@ -370,6 +362,11 @@ class Model:
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mat.add_nuclide(nuc, density)
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mat.set_density('atom/b-cm', sum(densities))
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# If we didnt start intialized, we should cleanup after ourselves
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if not started_initialized:
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depletion_operator.cleanup_when_done = True
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depletion_operator.finalize()
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def export_to_xml(self, directory='.'):
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"""Export model to XML files.
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@ -531,25 +528,16 @@ class Model:
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if isinstance(particles, Integral) and particles > 0:
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openmc.lib.settings.particles = particles
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# If we dont want output, make the verbosity quiet
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if not output:
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init_verbosity = openmc.lib.settings.verbosity
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if not output:
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openmc.lib.settings.verbosity = 1
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# Event-based can be set at init-time or on a case-basis.
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# Handle the argument here.
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# TODO This will be dealt with in a future change to the C API
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# Then run using the C API
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openmc.lib.run()
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openmc.lib.run(output)
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# Reset changes for the openmc.run kwargs handling
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if particles is not None:
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openmc.lib.settings.particles = init_particles
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if not output:
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# Then re-set the initial verbosity
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openmc.lib.settings.verbosity = init_verbosity
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else:
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# Then run via the command line
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@ -603,7 +591,7 @@ class Model:
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to the model. Defaults to applying the volumes.
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"""
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if len(self.settings.volume_calculation) == 0:
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if len(self.settings.volume_calculations) == 0:
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# Then there is no volume calculation specified
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raise ValueError("The Settings.volume_calculation attribute must"
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" be specified before executing this method!")
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@ -618,18 +606,9 @@ class Model:
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"with the call to mpi4py"
|
||||
raise ValueError(msg)
|
||||
|
||||
# Apply the output settings
|
||||
if not output:
|
||||
init_verbosity = openmc.lib.settings.verbosity
|
||||
if not output:
|
||||
openmc.lib.settings.verbosity = 1
|
||||
|
||||
# Compute the volumes
|
||||
openmc.lib.calculate_volumes()
|
||||
openmc.lib.calculate_volumes(output)
|
||||
|
||||
# Reset the output verbosity
|
||||
if not output:
|
||||
openmc.lib.settings.verbosity = init_verbosity
|
||||
else:
|
||||
self.export_to_xml()
|
||||
openmc.calculate_volumes(threads=threads, output=output,
|
||||
|
|
@ -638,23 +617,19 @@ class Model:
|
|||
|
||||
# Now we apply the volumes
|
||||
if apply_volumes:
|
||||
# Load the results
|
||||
f_names = \
|
||||
[f"volume_{i + 1}.h5"
|
||||
for i in range(len(self.settings.volume_calculations))]
|
||||
vol_calcs = [openmc.VolumeCalculation.load_results(f_name)
|
||||
for f_name in f_names]
|
||||
# And now we can add them to the model
|
||||
for vol_calc in vol_calcs:
|
||||
# Load the results and add them to the model
|
||||
for i, vol_calc in enumerate(self.settings.volume_calculations):
|
||||
f_name = f"volume_{i + 1}.h5"
|
||||
vol_calc.load_results(f_name)
|
||||
# First add them to the Python side
|
||||
self.geometry.add_volume_information(vol_calc)
|
||||
|
||||
# And now repeat for the C API
|
||||
if vol_calc.domain == 'material':
|
||||
if self.is_initialized and vol_calc.domain_type == 'material':
|
||||
# Then we can do this in the C API
|
||||
for domain_id in vol_calc.domains:
|
||||
self.update_material_volumes(
|
||||
[domain_id], vol_calc.volumes[domain_id])
|
||||
for domain_id in vol_calc.ids:
|
||||
openmc.lib.materials[domain_id].volume = \
|
||||
vol_calc.volumes[domain_id].n
|
||||
|
||||
def plot_geometry(self, output=True, cwd='.', openmc_exec='openmc',
|
||||
convert=True, convert_exec='convert'):
|
||||
|
|
@ -689,25 +664,15 @@ class Model:
|
|||
"before executing this method!")
|
||||
|
||||
with _change_directory(Path(cwd)):
|
||||
# TODO: openmis_initialized doesnt read plots.xml unless it is in plot mode
|
||||
# so the following will not work. Commented out for now and
|
||||
# replacing with non-C API code
|
||||
# TODO: openmc.is_initialized doesnt read plots.xml unless it is
|
||||
# in plot mode so the following will not work. Commented out for
|
||||
# now and replacing with non-C API code
|
||||
self.export_to_xml()
|
||||
openmc.plot_geometry(output=output, openmc_exec=openmc_exec)
|
||||
|
||||
# if self.is_initialized:
|
||||
# # Apply the output settings
|
||||
# if not output:
|
||||
# init_verbosity = openmc.lib.settings.verbosity
|
||||
# if not output:
|
||||
# openmc.lib.settings.verbosity = 1
|
||||
|
||||
# # Compute the volumes
|
||||
# openmc.lib.plot_geometry()
|
||||
|
||||
# # Reset the output verbosity
|
||||
# if not output:
|
||||
# openmc.lib.settings.verbosity = init_verbosity
|
||||
# openmc.lib.plot_geometry(output)
|
||||
# else:
|
||||
# self.export_to_xml()
|
||||
# openmc.plot_geometry(output=output, openmc_exec=openmc_exec)
|
||||
|
|
@ -721,8 +686,8 @@ class Model:
|
|||
png_file = ppm_file.replace('.ppm', '.png')
|
||||
subprocess.check_call([convert_exec, ppm_file, png_file])
|
||||
|
||||
def _change_py_C_attribs(self, names_or_ids, value, obj_type, attrib_name,
|
||||
density_units='atom/b-cm'):
|
||||
def _change_py_lib_attribs(self, names_or_ids, value, obj_type,
|
||||
attrib_name, density_units='atom/b-cm'):
|
||||
# Method to do the same work whether it is a cell or material and
|
||||
# a temperature or volume
|
||||
check_type('names_or_ids', names_or_ids, Iterable, (Integral, str))
|
||||
|
|
@ -819,7 +784,7 @@ class Model:
|
|||
|
||||
"""
|
||||
|
||||
self._change_py_C_attribs(names_or_ids, vector, 'cell', 'rotation')
|
||||
self._change_py_lib_attribs(names_or_ids, vector, 'cell', 'rotation')
|
||||
|
||||
def translate_cells(self, names_or_ids, vector):
|
||||
"""Translate the identified cell(s) by the specified translation vector.
|
||||
|
|
@ -841,7 +806,7 @@ class Model:
|
|||
|
||||
"""
|
||||
|
||||
self._change_py_C_attribs(names_or_ids, vector, 'cell', 'translation')
|
||||
self._change_py_lib_attribs(names_or_ids, vector, 'cell', 'translation')
|
||||
|
||||
def update_densities(self, names_or_ids, density, density_units='atom/b-cm'):
|
||||
"""Update the density of a given set of materials to a new value
|
||||
|
|
@ -863,7 +828,7 @@ class Model:
|
|||
|
||||
"""
|
||||
|
||||
self._change_py_C_attribs(names_or_ids, density, 'material', 'density',
|
||||
self._change_py_lib_attribs(names_or_ids, density, 'material', 'density',
|
||||
density_units)
|
||||
|
||||
def update_cell_temperatures(self, names_or_ids, temperature):
|
||||
|
|
@ -884,7 +849,7 @@ class Model:
|
|||
|
||||
"""
|
||||
|
||||
self._change_py_C_attribs(names_or_ids, temperature, 'cell',
|
||||
self._change_py_lib_attribs(names_or_ids, temperature, 'cell',
|
||||
'temperature')
|
||||
|
||||
def update_material_temperatures(self, names_or_ids, temperature):
|
||||
|
|
@ -905,7 +870,7 @@ class Model:
|
|||
|
||||
"""
|
||||
|
||||
self._change_py_C_attribs(names_or_ids, temperature, 'material',
|
||||
self._change_py_lib_attribs(names_or_ids, temperature, 'material',
|
||||
'temperature')
|
||||
|
||||
def update_material_volumes(self, names_or_ids, volume):
|
||||
|
|
@ -926,4 +891,4 @@ class Model:
|
|||
|
||||
"""
|
||||
|
||||
self._change_py_C_attribs(names_or_ids, volume, 'material', 'volume')
|
||||
self._change_py_lib_attribs(names_or_ids, volume, 'material', 'volume')
|
||||
|
|
|
|||
|
|
@ -1,4 +1,5 @@
|
|||
import sys
|
||||
from unittest.mock import Mock
|
||||
|
||||
|
||||
class DummyCommunicator:
|
||||
|
|
@ -31,3 +32,10 @@ class DummyCommunicator:
|
|||
|
||||
def Abort(self, exit_code_or_msg):
|
||||
sys.exit(exit_code_or_msg)
|
||||
|
||||
try:
|
||||
from mpi4py import MPI
|
||||
comm = MPI.COMM_WORLD
|
||||
except ImportError:
|
||||
MPI = Mock()
|
||||
comm = DummyCommunicator()
|
||||
|
|
@ -1,138 +1,9 @@
|
|||
from math import pi
|
||||
import openmc
|
||||
import pytest
|
||||
|
||||
from tests.regression_tests import config
|
||||
|
||||
|
||||
@pytest.fixture(scope='module')
|
||||
def pin_model_attributes():
|
||||
uo2 = openmc.Material(name='UO2')
|
||||
uo2.set_density('g/cm3', 10.29769)
|
||||
uo2.add_element('U', 1., enrichment=2.4)
|
||||
uo2.add_element('O', 2.)
|
||||
|
||||
zirc = openmc.Material(name='Zirc')
|
||||
zirc.set_density('g/cm3', 6.55)
|
||||
zirc.add_element('Zr', 1.)
|
||||
|
||||
borated_water = openmc.Material(name='Borated water')
|
||||
borated_water.set_density('g/cm3', 0.740582)
|
||||
borated_water.add_element('B', 4.0e-5)
|
||||
borated_water.add_element('H', 5.0e-2)
|
||||
borated_water.add_element('O', 2.4e-2)
|
||||
borated_water.add_s_alpha_beta('c_H_in_H2O')
|
||||
|
||||
mats = openmc.Materials([uo2, zirc, borated_water])
|
||||
|
||||
pitch = 1.25984
|
||||
fuel_or = openmc.ZCylinder(r=0.39218, name='Fuel OR')
|
||||
clad_or = openmc.ZCylinder(r=0.45720, name='Clad OR')
|
||||
box = openmc.model.rectangular_prism(pitch, pitch,
|
||||
boundary_type='reflective')
|
||||
|
||||
# Define cells
|
||||
fuel_inf_cell = openmc.Cell(name='inf fuel', fill=uo2)
|
||||
fuel_inf_univ = openmc.Universe(cells=[fuel_inf_cell])
|
||||
fuel = openmc.Cell(name='fuel', fill=fuel_inf_univ, region=-fuel_or)
|
||||
clad = openmc.Cell(fill=zirc, region=+fuel_or & -clad_or)
|
||||
water = openmc.Cell(fill=borated_water, region=+clad_or & box)
|
||||
|
||||
# Define overall geometry
|
||||
geom = openmc.Geometry([fuel, clad, water])
|
||||
uo2.volume = pi * fuel_or.r**2
|
||||
|
||||
settings = openmc.Settings()
|
||||
settings.batches = 100
|
||||
settings.inactive = 10
|
||||
settings.particles = 1000
|
||||
|
||||
# Create an initial uniform spatial source distribution over fissionable zones
|
||||
bounds = [-0.62992, -0.62992, -1, 0.62992, 0.62992, 1]
|
||||
uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
|
||||
settings.source = openmc.source.Source(space=uniform_dist)
|
||||
|
||||
entropy_mesh = openmc.RegularMesh()
|
||||
entropy_mesh.lower_left = [-0.39218, -0.39218, -1.e50]
|
||||
entropy_mesh.upper_right = [0.39218, 0.39218, 1.e50]
|
||||
entropy_mesh.dimension = [10, 10, 1]
|
||||
settings.entropy_mesh = entropy_mesh
|
||||
|
||||
tals = openmc.Tallies()
|
||||
tal = openmc.Tally(name='test')
|
||||
tal.scores = ['flux']
|
||||
tals.append(tal)
|
||||
|
||||
plot1 = openmc.Plot()
|
||||
plot1.origin = (0., 0., 0.)
|
||||
plot1.width = (pitch, pitch)
|
||||
plot1.pixels = (300, 300)
|
||||
plot1.color_by = 'material'
|
||||
plot1.filename = 'test'
|
||||
plot2 = openmc.Plot()
|
||||
plot2.origin = (0., 0., 0.)
|
||||
plot2.width = (pitch, pitch)
|
||||
plot2.pixels = (300, 300)
|
||||
plot2.color_by = 'cell'
|
||||
plots = openmc.Plots((plot1, plot2))
|
||||
|
||||
chain = './chain_simple.xml'
|
||||
fission_q = {'U235': 200e6}
|
||||
|
||||
chain_file_xml = """<?xml version="1.0"?>
|
||||
<depletion_chain>
|
||||
<nuclide name="I135" decay_modes="1" reactions="1" half_life="2.36520E+04">
|
||||
<decay type="beta" target="Xe135" branching_ratio="1.0" />
|
||||
<reaction type="(n,gamma)" Q="0.0" target="Xe136" /> <!-- Not precisely true, but whatever -->
|
||||
</nuclide>
|
||||
<nuclide name="Xe135" decay_modes="1" reactions="1" half_life="3.29040E+04">
|
||||
<decay type=" beta" target="Cs135" branching_ratio="1.0" />
|
||||
<reaction type="(n,gamma)" Q="0.0" target="Xe136" />
|
||||
</nuclide>
|
||||
<nuclide name="Xe136" decay_modes="0" reactions="0" />
|
||||
<nuclide name="Cs135" decay_modes="0" reactions="0" />
|
||||
<nuclide name="Gd157" decay_modes="0" reactions="1" >
|
||||
<reaction type="(n,gamma)" Q="0.0" target="Nothing" />
|
||||
</nuclide>
|
||||
<nuclide name="Gd156" decay_modes="0" reactions="1">
|
||||
<reaction type="(n,gamma)" Q="0.0" target="Gd157" />
|
||||
</nuclide>
|
||||
<nuclide name="U234" decay_modes="0" reactions="1">
|
||||
<reaction type="fission" Q="191840000."/>
|
||||
<neutron_fission_yields>
|
||||
<energies>2.53000e-02</energies>
|
||||
<fission_yields energy="2.53000e-02">
|
||||
<products>Gd157 Gd156 I135 Xe135 Xe136 Cs135</products>
|
||||
<data>1.093250e-04 2.087260e-04 2.780820e-02 6.759540e-03 2.392300e-02 4.356330e-05</data>
|
||||
</fission_yields>
|
||||
</neutron_fission_yields>
|
||||
</nuclide>
|
||||
<nuclide name="U235" decay_modes="0" reactions="1">
|
||||
<reaction type="fission" Q="193410000."/>
|
||||
<neutron_fission_yields>
|
||||
<energies>2.53000e-02</energies>
|
||||
<fission_yields energy="2.53000e-02">
|
||||
<products>Gd157 Gd156 I135 Xe135 Xe136 Cs135</products>
|
||||
<data>6.142710e-5 1.483250e-04 0.0292737 0.002566345 0.0219242 4.9097e-6</data>
|
||||
</fission_yields>
|
||||
</neutron_fission_yields>
|
||||
</nuclide>
|
||||
<nuclide name="U238" decay_modes="0" reactions="1">
|
||||
<reaction type="fission" Q="197790000."/>
|
||||
<neutron_fission_yields>
|
||||
<energies>2.53000e-02</energies>
|
||||
<fission_yields energy="2.53000e-02">
|
||||
<products>Gd157 Gd156 I135 Xe135 Xe136 Cs135</products>
|
||||
<data>4.141120e-04 7.605360e-04 0.0135457 0.00026864 0.0024432 3.7100E-07</data>
|
||||
</fission_yields>
|
||||
</neutron_fission_yields>
|
||||
</nuclide>
|
||||
</depletion_chain>
|
||||
"""
|
||||
operator_kwargs = {'chain_file': chain, 'fission_q': fission_q}
|
||||
|
||||
return (mats, geom, settings, tals, plots, operator_kwargs, chain_file_xml)
|
||||
|
||||
@pytest.fixture(scope='module')
|
||||
def mpi_intracomm():
|
||||
if config['mpi']:
|
||||
|
|
|
|||
|
|
@ -7,7 +7,8 @@ import os
|
|||
from pathlib import Path
|
||||
|
||||
import numpy as np
|
||||
from openmc.deplete import comm, Chain, reaction_rates, nuclide, cram, pool
|
||||
from openmc import comm
|
||||
from openmc.deplete import Chain, reaction_rates, nuclide, cram, pool
|
||||
import pytest
|
||||
|
||||
from tests import cdtemp
|
||||
|
|
|
|||
|
|
@ -14,11 +14,11 @@ import numpy as np
|
|||
from uncertainties import ufloat
|
||||
import pytest
|
||||
|
||||
from openmc import comm
|
||||
from openmc.deplete import (
|
||||
ReactionRates, Results, ResultsList, comm, OperatorResult,
|
||||
PredictorIntegrator, CECMIntegrator, CF4Integrator, CELIIntegrator,
|
||||
EPCRK4Integrator, LEQIIntegrator, SICELIIntegrator, SILEQIIntegrator,
|
||||
cram)
|
||||
ReactionRates, Results, ResultsList, OperatorResult, PredictorIntegrator,
|
||||
CECMIntegrator, CF4Integrator, CELIIntegrator, EPCRK4Integrator,
|
||||
LEQIIntegrator, SICELIIntegrator, SILEQIIntegrator, cram)
|
||||
|
||||
from tests import dummy_operator
|
||||
|
||||
|
|
|
|||
|
|
@ -713,7 +713,6 @@ def test_trigger_set_n_batches(uo2_trigger_model, mpi_intracomm):
|
|||
def test_cell_translation(pincell_model_w_univ, mpi_intracomm):
|
||||
openmc.lib.finalize()
|
||||
openmc.lib.init(intracomm=mpi_intracomm)
|
||||
openmc.lib.simulation_init()
|
||||
# Cell 1 is filled with a material so it has a translation, but we can't
|
||||
# set it.
|
||||
cell = openmc.lib.cells[1]
|
||||
|
|
@ -727,9 +726,12 @@ def test_cell_translation(pincell_model_w_univ, mpi_intracomm):
|
|||
# This time we *can* set it
|
||||
cell.translation = (1., 0., -1.)
|
||||
assert cell.translation == pytest.approx([1., 0., -1.])
|
||||
openmc.lib.finalize()
|
||||
|
||||
|
||||
def test_cell_rotation(pincell_model_w_univ):
|
||||
def test_cell_rotation(pincell_model_w_univ, mpi_intracomm):
|
||||
openmc.lib.finalize()
|
||||
openmc.lib.init(intracomm=mpi_intracomm)
|
||||
# Cell 1 is filled with a material so we cannot rotate it, but we can get
|
||||
# its rotation matrix (which will be the identity matrix)
|
||||
cell = openmc.lib.cells[1]
|
||||
|
|
@ -742,3 +744,4 @@ def test_cell_rotation(pincell_model_w_univ):
|
|||
assert cell.rotation == pytest.approx([0., 0., 0.])
|
||||
cell.rotation = (180., 0., 0.)
|
||||
assert cell.rotation == pytest.approx([180., 0., 0.])
|
||||
openmc.lib.finalize()
|
||||
|
|
|
|||
|
|
@ -1,10 +1,110 @@
|
|||
from math import pi
|
||||
import numpy as np
|
||||
import pytest
|
||||
from pathlib import Path
|
||||
from shutil import which
|
||||
import openmc
|
||||
import openmc.lib
|
||||
from openmc.deplete.dummy_comm import DummyCommunicator
|
||||
from openmc.mpi import DummyCommunicator
|
||||
|
||||
|
||||
@pytest.fixture(scope='function')
|
||||
def pin_model_attributes():
|
||||
uo2 = openmc.Material(material_id=1, name='UO2')
|
||||
uo2.set_density('g/cm3', 10.29769)
|
||||
uo2.add_element('U', 1., enrichment=2.4)
|
||||
uo2.add_element('O', 2.)
|
||||
uo2.depletable = True
|
||||
|
||||
zirc = openmc.Material(material_id=2, name='Zirc')
|
||||
zirc.set_density('g/cm3', 6.55)
|
||||
zirc.add_element('Zr', 1.)
|
||||
zirc.depletable = False
|
||||
|
||||
borated_water = openmc.Material(material_id=3, name='Borated water')
|
||||
borated_water.set_density('g/cm3', 0.740582)
|
||||
borated_water.add_element('B', 4.0e-5)
|
||||
borated_water.add_element('H', 5.0e-2)
|
||||
borated_water.add_element('O', 2.4e-2)
|
||||
borated_water.add_s_alpha_beta('c_H_in_H2O')
|
||||
borated_water.depletable = False
|
||||
|
||||
mats = openmc.Materials([uo2, zirc, borated_water])
|
||||
|
||||
pitch = 1.25984
|
||||
fuel_or = openmc.ZCylinder(r=0.39218, name='Fuel OR')
|
||||
clad_or = openmc.ZCylinder(r=0.45720, name='Clad OR')
|
||||
box = openmc.model.rectangular_prism(pitch, pitch,
|
||||
boundary_type='reflective')
|
||||
|
||||
# Define cells
|
||||
fuel_inf_cell = openmc.Cell(cell_id=1, name='inf fuel', fill=uo2)
|
||||
fuel_inf_univ = openmc.Universe(universe_id=1, cells=[fuel_inf_cell])
|
||||
fuel = openmc.Cell(cell_id=2, name='fuel',
|
||||
fill=fuel_inf_univ, region=-fuel_or)
|
||||
clad = openmc.Cell(cell_id=3, fill=zirc, region=+fuel_or & -clad_or)
|
||||
water = openmc.Cell(cell_id=4, fill=borated_water, region=+clad_or & box)
|
||||
|
||||
# Define overall geometry
|
||||
geom = openmc.Geometry([fuel, clad, water])
|
||||
uo2.volume = pi * fuel_or.r**2
|
||||
|
||||
settings = openmc.Settings()
|
||||
settings.batches = 100
|
||||
settings.inactive = 10
|
||||
settings.particles = 1000
|
||||
|
||||
# Create a uniform spatial source distribution over fissionable zones
|
||||
bounds = [-0.62992, -0.62992, -1, 0.62992, 0.62992, 1]
|
||||
uniform_dist = openmc.stats.Box(
|
||||
bounds[:3], bounds[3:], only_fissionable=True)
|
||||
settings.source = openmc.source.Source(space=uniform_dist)
|
||||
|
||||
entropy_mesh = openmc.RegularMesh()
|
||||
entropy_mesh.lower_left = [-0.39218, -0.39218, -1.e50]
|
||||
entropy_mesh.upper_right = [0.39218, 0.39218, 1.e50]
|
||||
entropy_mesh.dimension = [10, 10, 1]
|
||||
settings.entropy_mesh = entropy_mesh
|
||||
|
||||
tals = openmc.Tallies()
|
||||
tal = openmc.Tally(tally_id=1, name='test')
|
||||
tal.filters = [openmc.MaterialFilter(bins=[uo2])]
|
||||
tal.scores = ['flux', 'fission']
|
||||
tals.append(tal)
|
||||
|
||||
plot1 = openmc.Plot(plot_id=1)
|
||||
plot1.origin = (0., 0., 0.)
|
||||
plot1.width = (pitch, pitch)
|
||||
plot1.pixels = (300, 300)
|
||||
plot1.color_by = 'material'
|
||||
plot1.filename = 'test'
|
||||
plot2 = openmc.Plot(plot_id=2)
|
||||
plot2.origin = (0., 0., 0.)
|
||||
plot2.width = (pitch, pitch)
|
||||
plot2.pixels = (300, 300)
|
||||
plot2.color_by = 'cell'
|
||||
plots = openmc.Plots((plot1, plot2))
|
||||
|
||||
chain = './test_chain.xml'
|
||||
|
||||
chain_file_xml = """<?xml version="1.0"?>
|
||||
<depletion_chain>
|
||||
<nuclide name="Xe136" decay_modes="0" reactions="0" />
|
||||
<nuclide name="U235" decay_modes="0" reactions="1">
|
||||
<reaction type="fission" Q="200000000."/>
|
||||
<neutron_fission_yields>
|
||||
<energies>2.53000e-02</energies>
|
||||
<fission_yields energy="2.53000e-02">
|
||||
<products>Xe136</products>
|
||||
<data>1.0</data>
|
||||
</fission_yields>
|
||||
</neutron_fission_yields>
|
||||
</nuclide>
|
||||
</depletion_chain>
|
||||
"""
|
||||
operator_kwargs = {'chain_file': chain}
|
||||
|
||||
return (mats, geom, settings, tals, plots, operator_kwargs, chain_file_xml)
|
||||
|
||||
|
||||
def test_init(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
|
||||
|
|
@ -130,7 +230,7 @@ def test_init_finalize_lib(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
|
|||
# We are going to init and then make sure data is loaded
|
||||
mats, geom, settings, tals, plots, _, _ = pin_model_attributes
|
||||
test_model = openmc.Model(geom, mats, settings, tals, plots, mpi_intracomm)
|
||||
test_model.init_lib()
|
||||
test_model.init_lib(output=False)
|
||||
|
||||
# First check that the API is advertised as initialized
|
||||
assert openmc.lib.is_initialized is True
|
||||
|
|
@ -157,13 +257,13 @@ def test_import_properties(run_in_tmpdir, mpi_intracomm):
|
|||
# Create PWR pin cell model and write XML files
|
||||
openmc.reset_auto_ids()
|
||||
model = openmc.examples.pwr_pin_cell()
|
||||
model.init_lib()
|
||||
model.init_lib(output=False)
|
||||
|
||||
# Change fuel temperature and density and export properties
|
||||
cell = openmc.lib.cells[1]
|
||||
cell.set_temperature(600.0)
|
||||
cell.fill.set_density(5.0, 'g/cm3')
|
||||
openmc.lib.export_properties()
|
||||
openmc.lib.export_properties(output=False)
|
||||
|
||||
# Import properties to existing model
|
||||
model.import_properties("properties.h5")
|
||||
|
|
@ -203,17 +303,20 @@ def test_run(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
|
|||
sp_path = test_model.run(output=False)
|
||||
with openmc.StatePoint(sp_path) as sp:
|
||||
cli_keff = sp.k_combined
|
||||
cli_flux = sp.get_tally(id=1).get_values()[0, 0, 0]
|
||||
cli_flux = sp.get_tally(id=1).get_values(scores=['flux'])[0, 0, 0]
|
||||
cli_fiss = sp.get_tally(id=1).get_values(scores=['fission'])[0, 0, 0]
|
||||
|
||||
test_model.init_lib()
|
||||
test_model.init_lib(output=False)
|
||||
sp_path = test_model.run(output=False)
|
||||
with openmc.StatePoint(sp_path) as sp:
|
||||
C_keff = sp.k_combined
|
||||
C_flux = sp.get_tally(id=1).get_values()[0, 0, 0]
|
||||
lib_keff = sp.k_combined
|
||||
lib_flux = sp.get_tally(id=1).get_values(scores=['flux'])[0, 0, 0]
|
||||
lib_fiss = sp.get_tally(id=1).get_values(scores=['fission'])[0, 0, 0]
|
||||
|
||||
# and lets compare results
|
||||
assert abs(C_keff - cli_keff) < 1e-13
|
||||
assert abs(C_flux - cli_flux) < 1e-13
|
||||
assert abs(lib_keff - cli_keff) < 1e-13
|
||||
assert abs(lib_flux - cli_flux) < 1e-13
|
||||
assert abs(lib_fiss - cli_fiss) < 1e-13
|
||||
|
||||
# Now we should make sure that the flags for items which should be handled
|
||||
# by init are properly set
|
||||
|
|
@ -248,8 +351,8 @@ def test_plots(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
|
|||
# We will run the test twice, the first time without C API, the second with
|
||||
for i in range(2):
|
||||
if i == 1:
|
||||
test_model.init_lib()
|
||||
test_model.plot_geometry(output=True, convert=convert)
|
||||
test_model.init_lib(output=False)
|
||||
test_model.plot_geometry(output=False, convert=convert)
|
||||
|
||||
# Now look for the files, expect to find test.ppm, plot_2.ppm, and if
|
||||
# convert is True, test.png, plot_2.png
|
||||
|
|
@ -262,11 +365,11 @@ def test_plots(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
|
|||
test_model.finalize_lib()
|
||||
|
||||
|
||||
def test_py_C_attributes(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
|
||||
def test_py_lib_attributes(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
|
||||
mats, geom, settings, tals, plots, _, _ = pin_model_attributes
|
||||
test_model = openmc.Model(geom, mats, settings, tals, plots, mpi_intracomm)
|
||||
|
||||
test_model.init_lib()
|
||||
test_model.init_lib(output=False)
|
||||
|
||||
# Now we can call rotate_cells, translate_cells, update_densities,
|
||||
# update_cell_temperatures, and update_material_temperatures and make sure
|
||||
|
|
@ -358,3 +461,106 @@ def test_py_C_attributes(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
|
|||
assert abs(test_model.materials[0].volume - 2.) < 1e-13
|
||||
|
||||
test_model.finalize_lib()
|
||||
|
||||
|
||||
# def test_deplete(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
|
||||
# mats, geom, settings, tals, plots, op_kwargs, chain_file_xml = \
|
||||
# pin_model_attributes
|
||||
# with open('test_chain.xml', 'w') as f:
|
||||
# f.write(chain_file_xml)
|
||||
# test_model = openmc.Model(geom, mats, settings, tals, plots, mpi_intracomm)
|
||||
|
||||
# initial_mat = mats[0].clone()
|
||||
# initial_u = initial_mat.get_nuclide_atom_densities()['U235'][1]
|
||||
|
||||
# # Note that the chain file includes only U-235 fission to a stable Xe136 w/
|
||||
# # a yield of 100%. Thus all the U235 we lose becomes Xe136
|
||||
|
||||
# # In this test we first run without pre-initializing the shared library
|
||||
# # data and then compare. Then we repeat with the C API already initialized
|
||||
# # and make sure we get the same answer
|
||||
# test_model.deplete([1e6], 'predictor', final_step=False,
|
||||
# operator_kwargs=op_kwargs,
|
||||
# power=1.)
|
||||
# # Get the new Xe136 and U235 atom densities
|
||||
# after_xe = mats[0].get_nuclide_atom_densities()['Xe136'][1]
|
||||
# after_u = mats[0].get_nuclide_atom_densities()['U235'][1]
|
||||
# assert abs((after_xe + after_u) - initial_u) < 1e-15
|
||||
# assert test_model.is_initialized is False
|
||||
|
||||
# # Reset the initial material densities
|
||||
# mats[0].nuclides.clear()
|
||||
# densities = initial_mat.get_nuclide_atom_densities()
|
||||
# tot_density = 0.
|
||||
# for nuc, density in densities.values():
|
||||
# mats[0].add_nuclide(nuc, density)
|
||||
# tot_density += density
|
||||
# mats[0].set_density('atom/b-cm', tot_density)
|
||||
|
||||
# # Now we can re-run with the pre-initialized API
|
||||
# test_model.init_lib(output=False)
|
||||
# test_model.deplete([1e6], 'predictor', final_step=False,
|
||||
# operator_kwargs=op_kwargs,
|
||||
# power=1.)
|
||||
# # Get the new Xe136 and U235 atom densities
|
||||
# after_lib_xe = mats[0].get_nuclide_atom_densities()['Xe136'][1]
|
||||
# after_lib_u = mats[0].get_nuclide_atom_densities()['U235'][1]
|
||||
# assert abs((after_lib_xe + after_lib_u) - initial_u) < 1e-15
|
||||
# assert test_model.is_initialized is True
|
||||
|
||||
# # And end by comparing to the previous case
|
||||
# assert abs(after_xe - after_lib_xe) < 1e-15
|
||||
# assert abs(after_u - after_lib_u) < 1e-15
|
||||
|
||||
# test_model.finalize_lib()
|
||||
|
||||
|
||||
def test_calc_volumes(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
|
||||
mats, geom, settings, tals, plots, _, _ = pin_model_attributes
|
||||
|
||||
test_model = openmc.Model(geom, mats, settings, tals, plots, mpi_intracomm)
|
||||
|
||||
# With no vol calcs, it should fail
|
||||
with pytest.raises(ValueError):
|
||||
test_model.calculate_volumes(output=False)
|
||||
|
||||
# Add a cell and mat volume calc
|
||||
material_vol_calc = openmc.VolumeCalculation(
|
||||
[mats[2]], samples=1000, lower_left=(-.63, -.63, -100.),
|
||||
upper_right=(.63, .63, 100.))
|
||||
cell_vol_calc = openmc.VolumeCalculation(
|
||||
[geom.root_universe.cells[3]], samples=1000,
|
||||
lower_left=(-.63, -.63, -100.), upper_right=(.63, .63, 100.))
|
||||
test_model.settings.volume_calculations = \
|
||||
[material_vol_calc, cell_vol_calc]
|
||||
|
||||
# Now lets compute the volumes and check to see if it was applied
|
||||
# First lets do without using the C-API
|
||||
# Make sure the volumes are unassigned first
|
||||
assert mats[2].volume is None
|
||||
assert geom.root_universe.cells[3].volume is None
|
||||
test_model.calculate_volumes(output=False, apply_volumes=True)
|
||||
|
||||
# Now let's test that we have volumes assigned; we arent checking the
|
||||
# value, just that the value was changed
|
||||
assert mats[2].volume > 0.
|
||||
assert geom.root_universe.cells[3].volume > 0.
|
||||
|
||||
# Now reset the values
|
||||
mats[2].volume = None
|
||||
geom.root_universe.cells[3].volume = None
|
||||
|
||||
# And do again with an initialized library
|
||||
for file in ['volume_1.h5', 'volume_2.h5']:
|
||||
file = Path(file)
|
||||
file.unlink()
|
||||
test_model.init_lib(output=False)
|
||||
test_model.calculate_volumes(output=False, apply_volumes=True)
|
||||
assert mats[2].volume > 0.
|
||||
assert geom.root_universe.cells[3].volume > 0.
|
||||
assert openmc.lib.materials[3].volume == mats[2].volume
|
||||
|
||||
test_model.finalize_lib()
|
||||
|
||||
|
||||
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue