diff --git a/docs/source/pythonapi/examples/multi-group-cross-sections.ipynb b/docs/source/pythonapi/examples/multi-group-cross-sections.ipynb index 67f43b171..fedf7ea95 100644 --- a/docs/source/pythonapi/examples/multi-group-cross-sections.ipynb +++ b/docs/source/pythonapi/examples/multi-group-cross-sections.ipynb @@ -478,7 +478,7 @@ " License: http://mit-crpg.github.io/openmc/license.html\n", " Version: 0.7.0\n", " Git SHA1: 23535afa1c69644bb299bde18a094c3b99d53ae0\n", - " Date/Time: 2015-10-09 20:27:11\n", + " Date/Time: 2015-10-10 17:36:39\n", " MPI Processes: 1\n", "\n", " ===========================================================================\n", @@ -563,20 +563,20 @@ "\n", " =======================> TIMING STATISTICS <=======================\n", "\n", - " Total time for initialization = 3.9000E-01 seconds\n", - " Reading cross sections = 8.8000E-02 seconds\n", - " Total time in simulation = 1.2262E+01 seconds\n", - " Time in transport only = 1.2254E+01 seconds\n", - " Time in inactive batches = 1.8120E+00 seconds\n", - " Time in active batches = 1.0450E+01 seconds\n", - " Time synchronizing fission bank = 1.0000E-03 seconds\n", - " Sampling source sites = 1.0000E-03 seconds\n", + " Total time for initialization = 6.3500E-01 seconds\n", + " Reading cross sections = 1.4900E-01 seconds\n", + " Total time in simulation = 1.5217E+01 seconds\n", + " Time in transport only = 1.5201E+01 seconds\n", + " Time in inactive batches = 2.2480E+00 seconds\n", + " Time in active batches = 1.2969E+01 seconds\n", + " Time synchronizing fission bank = 2.0000E-03 seconds\n", + " Sampling source sites = 2.0000E-03 seconds\n", " SEND/RECV source sites = 0.0000E+00 seconds\n", " Time accumulating tallies = 0.0000E+00 seconds\n", " Total time for finalization = 2.0000E-03 seconds\n", - " Total time elapsed = 1.2662E+01 seconds\n", - " Calculation Rate (inactive) = 13796.9 neutrons/second\n", - " Calculation Rate (active) = 9569.38 neutrons/second\n", + " Total time elapsed = 1.5866E+01 seconds\n", + " Calculation Rate (inactive) = 11121.0 neutrons/second\n", + " Calculation Rate (active) = 7710.69 neutrons/second\n", "\n", " ============================> RESULTS <============================\n", "\n", @@ -1883,7 +1883,7 @@ "data": { "image/png": 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"text/plain": [ - "" + "" ] }, "metadata": {}, @@ -2192,8 +2192,8 @@ "output_type": "stream", "text": [ "openmc keff = 1.227616\n", - "openmoc keff = 1.225325\n", - "bias [pcm]: -229.1\n" + "openmoc keff = -1501548191911247872.000000\n", + "bias [pcm]: -150154819191124787200000.0\n" ] } ], @@ -2286,8 +2286,8 @@ "output_type": "stream", "text": [ "openmc keff = 1.227616\n", - "openmoc keff = 1.227096\n", - "bias [pcm]: -52.0\n" + "openmoc keff = -1678021319997784064.000000\n", + "bias [pcm]: -167802131999778406400000.0\n" ] } ], diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py index 48288ad24..c87483a42 100644 --- a/openmc/mgxs/library.py +++ b/openmc/mgxs/library.py @@ -1,4 +1,5 @@ import sys +import os import copy from numbers import Integral @@ -90,6 +91,7 @@ class Library(object): clone._domain_type = self.domain_type clone._energy_groups = copy.deepcopy(self.energy_groups, memo) clone._all_mgxs = self.all_mgxs + clone._statepoint = self._statepoint clone._all_mgxs = {} for domain in self.domains: @@ -396,7 +398,7 @@ class Library(object): HDF5 groups from the domain type, domain id, subdomain id (for distribcell domains), nuclides and cross section types. Two datasets for the mean and standard deviation are stored for each subdomain entry in - the HDF5 file. + the HDF5 file. The number of groups is stored as a file attribute. NOTE: This requires the h5py Python package. @@ -435,6 +437,19 @@ class Library(object): 'library since a statepoint has not yet been loaded' raise ValueError(msg) + import h5py + + # Make directory if it does not exist + if not os.path.exists(directory): + os.makedirs(directory) + + # Add an attribute for the number of energy groups to the HDF5 file + full_filename = os.path.join(directory, filename + '.h5') + full_filename = full_filename.replace(' ', '-') + f = h5py.File(full_filename, 'w') + f.attrs["# groups"] = self.num_groups + f.close() + # Export MGXS for each domain and mgxs type to an HDF5 file for domain in self.domains: for mgxs_type in self.mgxs_types: @@ -443,4 +458,5 @@ class Library(object): if subdomains == 'avg': mgxs = mgxs.get_subdomain_avg_xs() - mgxs.build_hdf5_store(filename, directory, xs_type) \ No newline at end of file + mgxs.build_hdf5_store(filename, directory, + xs_type=xs_type, nuclides=nuclides) \ No newline at end of file diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py index e1df3eef3..f424916a0 100644 --- a/openmc/mgxs/mgxs.py +++ b/openmc/mgxs/mgxs.py @@ -903,8 +903,9 @@ class MGXS(object): print(string) - def build_hdf5_store(self, filename='mgxs', directory='mgxs', append=True, - subdomains='all', nuclides='all', xs_type='macro'): + def build_hdf5_store(self, filename='mgxs', directory='mgxs', + subdomains='all', nuclides='all', + xs_type='macro', append=True): """Export the multi-group cross section data to an HDF5 binary file. This method constructs an HDF5 file which stores the multi-group @@ -921,9 +922,6 @@ class MGXS(object): Filename for the HDF5 file. Defaults to 'mgxs'. directory : str Directory for the HDF5 file. Defaults to 'mgxs'. - append : boolean - If true, appends to an existing HDF5 file with the same filename - directory (if one exists). Defaults to True. subdomains : Iterable of Integral or 'all' The subdomain IDs of the cross sections to include in the report. Defaults to 'all'. @@ -936,6 +934,9 @@ class MGXS(object): xs_type: {'macro', 'micro'} Store the macro or micro cross section in units of cm^-1 or barns. Defaults to 'macro'. + append : boolean + If true, appends to an existing HDF5 file with the same filename + directory (if one exists). Defaults to True. Raises ------ @@ -952,12 +953,7 @@ class MGXS(object): 'cross section has not been computed' raise ValueError(msg) - # Attempt to import h5py - try: - import h5py - except ImportError: - msg = 'The h5py Python package must be installed on your system' - raise ImportError(msg) + import h5py # Make directory if it does not exist if not os.path.exists(directory): @@ -993,27 +989,10 @@ class MGXS(object): cv.check_value('xs_type', xs_type, ['macro', 'micro']) - ''' - if self.by_nuclide: - nuclides = self.domain.get_all_nuclides() - densities = np.zeros(len(nuclides), dtype=np.float) - for i, nuclide in enumerate(nuclides): - densities[i] = nuclides[nuclide][1] - else: - nuclides = ['sum'] - ''' - # Create an HDF5 group within the file for the domain domain_type_group = xs_results.require_group(self.domain_type) domain_group = domain_type_group.require_group(str(self.domain.id)) - ''' - if subdomains == 'all' and self.domain_type == 'distribcell': - subdomains = np.arange(self.num_subdomains, dtype=np.int) - else: - subdomains = [self.domain.id] - ''' - # Determine number of digits to pad subdomain group keys num_digits = len(str(self.num_subdomains)) @@ -1976,7 +1955,7 @@ class Chi(MGXS): nu_fission_in = self.tallies['nu-fission-in'] nu_fission_out = self.tallies['nu-fission-out'] - # Remove the coarse energy filter to keep it out of tally arithmetic + # Remove coarse energy filter to keep it out of tally arithmetic energy_filter = nu_fission_in.find_filter('energy') nu_fission_in.remove_filter(energy_filter) @@ -2071,9 +2050,17 @@ class Chi(MGXS): nu_fission_in = nu_fission_in.summation(nuclides=nuclides) nu_fission_out = nu_fission_out.summation(nuclides=nuclides) + # Remove coarse energy filter to keep it out of tally arithmetic + energy_filter = nu_fission_in.find_filter('energy') + nu_fission_in.remove_filter(energy_filter) + # Compute chi and store it as the xs_tally attribute so we can # use the generic get_xs(...) method xs_tally = nu_fission_out / nu_fission_in + + # Add the coarse energy filter back to the nu-fission tally + nu_fission_in.add_filter(energy_filter) + xs = xs_tally.get_values(filters=filters, filter_bins=filter_bins, value=value)