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Fix collision track feature for photon transport (#3946)
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
This commit is contained in:
Patrick Shriwise
GitHub
parent
4f6a25e00a
commit
ea6ba328c9
32 changed files with 167 additions and 196 deletions
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@ -10,7 +10,7 @@ may also be written after each batch when multiple files are requested
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(``collision_track.N.h5``) or when the run is performed in parallel. The file
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contains the information needed to reconstruct each recorded collision.
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The current revision of the collision track file format is 1.1.
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The current revision of the collision track file format is 1.2.
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**/**
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@ -33,7 +33,7 @@ The current revision of the collision track file format is 1.1.
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- ``event_mt`` (*int*) -- ENDF MT number identifying the reaction.
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- ``delayed_group`` (*int*) -- Delayed neutron group index (non-zero for delayed events).
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- ``cell_id`` (*int*) -- ID of the cell in which the collision occurred.
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- ``nuclide_id`` (*int*) -- ZA identifier of the nuclide (ZZZAAAM format).
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- ``nuclide_id`` (*int*) -- PDG number of the nuclide (100ZZZAAAM).
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- ``material_id`` (*int*) -- ID of the material containing the collision site.
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- ``universe_id`` (*int*) -- ID of the universe containing the collision site.
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- ``n_collision`` (*int*) -- Collision counter for the particle history.
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@ -98,6 +98,11 @@ sub-elements:
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A list of strings representing the nuclide, to define specific
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define specific target nuclide collisions to be banked.
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.. note::
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Electron and positron collision-track events are not associated with
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a specific nuclide. If a ``nuclides`` entry is specified, these events
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are omitted.
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*Default*: None
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:reactions:
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@ -792,6 +792,11 @@ collision_track.h5 file at the end of the simulation. The file contains
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300 recorded collisions that occurred in materials with IDs 1 or 2, involving
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fission or (n,2n) reactions on the nuclides U-238 or O-16, within cells
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with IDs 5 and 12.
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.. note::
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Electron and positron collision-track events are not associated with a
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specific nuclide. If a ``nuclides`` entry is specified, these events are omitted.
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The file can be read using :func:`openmc.read_collision_track_file`.
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The example below shows how to extract the data from the collision_track
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feature and displays the fields stored in the file:
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@ -35,7 +35,7 @@ constexpr array<int, 2> VERSION_VOXEL {2, 0};
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constexpr array<int, 2> VERSION_MGXS_LIBRARY {1, 0};
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constexpr array<int, 2> VERSION_PROPERTIES {1, 1};
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constexpr array<int, 2> VERSION_WEIGHT_WINDOWS {1, 0};
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constexpr array<int, 2> VERSION_COLLISION_TRACK {1, 1};
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constexpr array<int, 2> VERSION_COLLISION_TRACK {1, 2};
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// ============================================================================
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// ADJUSTABLE PARAMETERS
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@ -84,6 +84,9 @@ public:
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double collapse_rate(int MT, double temperature, span<const double> energy,
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span<const double> flux) const;
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//! Return a ParticleType object representing this nuclide
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ParticleType particle_type() const { return {Z_, A_, metastable_}; }
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//============================================================================
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// Data members
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std::string name_; //!< Name of nuclide, e.g. "U235"
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@ -200,8 +200,13 @@ void collision_track_record(Particle& particle)
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return;
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int cell_id = model::cells[cell_index]->id_;
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const auto* nuclide_ptr = data::nuclides[particle.event_nuclide()].get();
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std::string nuclide = nuclide_ptr->name_;
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std::string nuclide {};
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int nuclide_id = 0;
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if (particle.event_nuclide() != NUCLIDE_NONE) {
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const auto* nuclide_ptr = data::nuclides[particle.event_nuclide()].get();
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nuclide = nuclide_ptr->name_;
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nuclide_id = nuclide_ptr->particle_type().pdg_number();
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}
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int universe_id = model::universes[particle.lowest_coord().universe()]->id_;
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double delta_E = particle.E_last() - particle.E();
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int material_index = particle.material();
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@ -224,8 +229,7 @@ void collision_track_record(Particle& particle)
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site.event_mt = particle.event_mt();
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site.delayed_group = particle.delayed_group();
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site.cell_id = cell_id;
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site.nuclide_id =
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10000 * nuclide_ptr->Z_ + 10 * nuclide_ptr->A_ + nuclide_ptr->metastable_;
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site.nuclide_id = nuclide_id;
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site.material_id = material_id;
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site.universe_id = universe_id;
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site.n_collision = particle.n_collision();
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Binary file not shown.
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@ -38,9 +38,9 @@
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</geometry>
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<settings>
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<run_mode>eigenvalue</run_mode>
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<particles>100</particles>
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<particles>80</particles>
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<batches>5</batches>
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<inactive>1</inactive>
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<inactive>4</inactive>
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<source type="independent" strength="1.0" particle="neutron">
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<space type="box">
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<parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
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@ -51,7 +51,7 @@
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</source>
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<collision_track>
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<reactions>(n,fission) 101</reactions>
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<max_collisions>300</max_collisions>
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<max_collisions>100</max_collisions>
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</collision_track>
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<seed>1</seed>
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</settings>
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@ -1,2 +0,0 @@
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k-combined:
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5.642735E-02 1.494035E-02
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Binary file not shown.
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@ -38,9 +38,9 @@
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</geometry>
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<settings>
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<run_mode>eigenvalue</run_mode>
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<particles>100</particles>
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<particles>80</particles>
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<batches>5</batches>
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<inactive>1</inactive>
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<inactive>4</inactive>
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<source type="independent" strength="1.0" particle="neutron">
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<space type="box">
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<parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
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@ -51,7 +51,7 @@
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</source>
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<collision_track>
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<cell_ids>22</cell_ids>
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<max_collisions>300</max_collisions>
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<max_collisions>100</max_collisions>
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</collision_track>
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<seed>1</seed>
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</settings>
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@ -1,2 +0,0 @@
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k-combined:
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5.642735E-02 1.494035E-02
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Binary file not shown.
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@ -38,9 +38,9 @@
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</geometry>
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<settings>
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<run_mode>eigenvalue</run_mode>
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<particles>100</particles>
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<particles>80</particles>
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<batches>5</batches>
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<inactive>1</inactive>
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<inactive>4</inactive>
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<source type="independent" strength="1.0" particle="neutron">
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<space type="box">
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<parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
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@ -51,7 +51,7 @@
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</source>
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<collision_track>
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<material_ids>1</material_ids>
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<max_collisions>300</max_collisions>
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<max_collisions>100</max_collisions>
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</collision_track>
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<seed>1</seed>
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</settings>
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@ -1,2 +0,0 @@
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k-combined:
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5.642735E-02 1.494035E-02
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Binary file not shown.
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@ -38,9 +38,9 @@
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</geometry>
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<settings>
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<run_mode>eigenvalue</run_mode>
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<particles>100</particles>
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<particles>80</particles>
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<batches>5</batches>
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<inactive>1</inactive>
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<inactive>4</inactive>
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<source type="independent" strength="1.0" particle="neutron">
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<space type="box">
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<parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
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@ -51,7 +51,7 @@
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</source>
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<collision_track>
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<nuclides>O16 U235</nuclides>
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<max_collisions>300</max_collisions>
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<max_collisions>100</max_collisions>
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</collision_track>
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<seed>1</seed>
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</settings>
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@ -1,2 +0,0 @@
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k-combined:
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5.642735E-02 1.494035E-02
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Binary file not shown.
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@ -38,9 +38,9 @@
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</geometry>
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<settings>
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<run_mode>eigenvalue</run_mode>
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<particles>100</particles>
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<particles>80</particles>
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<batches>5</batches>
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<inactive>1</inactive>
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<inactive>4</inactive>
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<source type="independent" strength="1.0" particle="neutron">
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<space type="box">
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<parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
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@ -52,7 +52,7 @@
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<collision_track>
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<cell_ids>22</cell_ids>
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<universe_ids>77</universe_ids>
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<max_collisions>300</max_collisions>
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<max_collisions>100</max_collisions>
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</collision_track>
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<seed>1</seed>
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</settings>
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@ -1,2 +0,0 @@
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k-combined:
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5.642735E-02 1.494035E-02
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Binary file not shown.
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@ -38,9 +38,9 @@
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</geometry>
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<settings>
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<run_mode>eigenvalue</run_mode>
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<particles>100</particles>
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<particles>80</particles>
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<batches>5</batches>
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<inactive>1</inactive>
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<inactive>4</inactive>
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<source type="independent" strength="1.0" particle="neutron">
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<space type="box">
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<parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
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@ -51,7 +51,7 @@
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</source>
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<collision_track>
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<deposited_E_threshold>550000.0</deposited_E_threshold>
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<max_collisions>300</max_collisions>
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<max_collisions>100</max_collisions>
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</collision_track>
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<seed>1</seed>
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</settings>
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@ -1,2 +0,0 @@
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k-combined:
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5.642735E-02 1.494035E-02
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Binary file not shown.
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@ -38,9 +38,9 @@
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</geometry>
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<settings>
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<run_mode>eigenvalue</run_mode>
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<particles>100</particles>
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<particles>80</particles>
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<batches>5</batches>
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<inactive>1</inactive>
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<inactive>4</inactive>
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<source type="independent" strength="1.0" particle="neutron">
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<space type="box">
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<parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
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@ -56,7 +56,7 @@
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<material_ids>1 11</material_ids>
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<nuclides>U238 U235 H1 U234</nuclides>
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<deposited_E_threshold>100000.0</deposited_E_threshold>
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<max_collisions>300</max_collisions>
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<max_collisions>100</max_collisions>
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</collision_track>
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<seed>1</seed>
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</settings>
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@ -1,2 +0,0 @@
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k-combined:
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5.642735E-02 1.494035E-02
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@ -1,57 +0,0 @@
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<?xml version='1.0' encoding='utf-8'?>
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<model>
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<materials>
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<material id="1" depletable="true">
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<density value="11.0" units="g/cm3"/>
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<nuclide name="U234" ao="0.0004524"/>
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<nuclide name="U235" ao="0.0506068"/>
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<nuclide name="U238" ao="0.948709"/>
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<nuclide name="U236" ao="0.0002318"/>
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<nuclide name="O16" ao="2.0"/>
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</material>
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<material id="11">
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<density value="1.0" units="g/cm3"/>
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<nuclide name="H1" ao="2.0"/>
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<nuclide name="O16" ao="1.0"/>
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</material>
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</materials>
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<geometry>
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<cell id="5" fill="77" region="-5 4 -7 6 -9 8" universe="1"/>
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<cell id="8" material="11" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="1"/>
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<cell id="22" material="1" region="-1 2 -3" universe="77"/>
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<cell id="33" material="11" region="1 | -2 | 3" universe="77"/>
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<surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
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<surface id="2" type="z-plane" coeffs="-2.0"/>
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<surface id="3" type="z-plane" coeffs="2.0"/>
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<surface id="4" type="x-plane" coeffs="-3.0"/>
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<surface id="5" type="x-plane" coeffs="3.0"/>
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<surface id="6" type="y-plane" coeffs="-3.0"/>
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<surface id="7" type="y-plane" coeffs="3.0"/>
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<surface id="8" type="z-plane" coeffs="-3.0"/>
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<surface id="9" type="z-plane" coeffs="3.0"/>
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<surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
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<surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
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<surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
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<surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
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<surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
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<surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
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</geometry>
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<settings>
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<run_mode>eigenvalue</run_mode>
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<particles>100</particles>
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<batches>5</batches>
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<inactive>1</inactive>
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<source type="independent" strength="1.0" particle="neutron">
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<space type="box">
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<parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
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</space>
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<constraints>
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<fissionable>true</fissionable>
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</constraints>
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</source>
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<collision_track>
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<max_collisions>200</max_collisions>
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</collision_track>
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<seed>1</seed>
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</settings>
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</model>
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k-combined:
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5.642735E-02 1.494035E-02
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@ -59,28 +59,13 @@ TODO:
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"""
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import os
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import openmc
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import openmc.lib
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import pytest
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from tests.testing_harness import CollisionTrackTestHarness
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from tests.regression_tests import config
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@pytest.fixture(scope="function")
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def two_threads(monkeypatch):
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"""Set the number of OMP threads to 2 for the test."""
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monkeypatch.setenv("OMP_NUM_THREADS", "2")
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@pytest.fixture(scope="function")
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def single_process(monkeypatch):
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"""Set the number of MPI process to 1 for the test."""
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monkeypatch.setitem(config, "mpi_np", "1")
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@pytest.fixture(scope="module")
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def model_1():
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"""Cylindrical core contained in a first box which is contained in a larger box.
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@ -181,9 +166,9 @@ def model_1():
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# =============================================================================
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model.settings = openmc.Settings()
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model.settings.particles = 100
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model.settings.particles = 80
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model.settings.batches = 5
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model.settings.inactive = 1
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model.settings.inactive = 4
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model.settings.seed = 1
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bounds = [
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@ -203,19 +188,19 @@ def model_1():
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@pytest.mark.parametrize(
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"folder, model_name, parameter",
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[("case_1_Reactions", "model_1", {"max_collisions": 300, "reactions": ["(n,fission)", 101]}),
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[("case_1_Reactions", "model_1", {"max_collisions": 100, "reactions": ["(n,fission)", 101]}),
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("case_2_Cell_ID", "model_1", {
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"max_collisions": 300, "cell_ids": [22]}),
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"max_collisions": 100, "cell_ids": [22]}),
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("case_3_Material_ID", "model_1", {
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"max_collisions": 300, "material_ids": [1]}),
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"max_collisions": 100, "material_ids": [1]}),
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("case_4_Nuclide_ID", "model_1", {
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"max_collisions": 300, "nuclides": ["O16", "U235"]}),
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"max_collisions": 100, "nuclides": ["O16", "U235"]}),
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("case_5_Universe_ID", "model_1", {
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"max_collisions": 300, "cell_ids": [22], "universe_ids": [77]}),
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"max_collisions": 100, "cell_ids": [22], "universe_ids": [77]}),
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("case_6_deposited_energy_threshold", "model_1", {
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"max_collisions": 300, "deposited_E_threshold": 5.5e5}),
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"max_collisions": 100, "deposited_E_threshold": 5.5e5}),
|
||||
("case_7_all_parameters_used_together", "model_1", {
|
||||
"max_collisions": 300,
|
||||
"max_collisions": 100,
|
||||
"reactions": ["elastic", 18, "(n,disappear)"],
|
||||
"material_ids": [1, 11],
|
||||
"universe_ids": [77],
|
||||
|
|
@ -235,21 +220,3 @@ def test_collision_track_several_cases(
|
|||
"statepoint.5.h5", model=model, workdir=folder
|
||||
)
|
||||
harness.main()
|
||||
|
||||
|
||||
@pytest.mark.skipif(config["event"], reason="Results from history-based mode.")
|
||||
def test_collision_track_2threads(model_1, two_threads, single_process):
|
||||
# This test checks that the `max_collisions` setting is honored:
|
||||
# no collisions beyond the specified limit should be recorded.
|
||||
#
|
||||
# For the result to be reproducible, the number of threads and
|
||||
# the transport mode (history vs. event) must remain fixed.
|
||||
assert os.environ["OMP_NUM_THREADS"] == "2"
|
||||
assert config["mpi_np"] == "1"
|
||||
model_1.settings.collision_track = {
|
||||
"max_collisions": 200
|
||||
}
|
||||
harness = CollisionTrackTestHarness(
|
||||
"statepoint.5.h5", model=model_1, workdir="case_8_2threads"
|
||||
)
|
||||
harness.main()
|
||||
|
|
|
|||
|
|
@ -546,19 +546,19 @@ class CollisionTrackTestHarness(PyAPITestHarness):
|
|||
|
||||
def _test_output_created(self):
|
||||
"""Make sure collision_track.h5 has also been created."""
|
||||
super()._test_output_created()
|
||||
if self._model.settings.collision_track:
|
||||
assert os.path.exists(
|
||||
"collision_track.h5"
|
||||
), "collision_track file has not been created."
|
||||
|
||||
def _compare_output(self):
|
||||
def _compare_results(self):
|
||||
"""Compare collision_track.h5 files."""
|
||||
if self._model.settings.collision_track:
|
||||
collision_track_true = self._return_collision_track_data(
|
||||
"collision_track_true.h5")
|
||||
collision_track_test = self._return_collision_track_data(
|
||||
"collision_track.h5")
|
||||
assert collision_track_true.shape == collision_track_test.shape
|
||||
np.testing.assert_allclose(
|
||||
collision_track_true, collision_track_test, rtol=1e-07)
|
||||
|
||||
|
|
@ -582,15 +582,18 @@ class CollisionTrackTestHarness(PyAPITestHarness):
|
|||
|
||||
def _overwrite_results(self):
|
||||
"""Also add the 'collision_track.h5' file during overwriting."""
|
||||
super()._overwrite_results()
|
||||
if os.path.exists("collision_track.h5"):
|
||||
shutil.copyfile("collision_track.h5", "collision_track_true.h5")
|
||||
|
||||
def _write_results(self, results_string):
|
||||
# The result file for this test are written by the OpenMC executable itself
|
||||
pass
|
||||
|
||||
@staticmethod
|
||||
def _return_collision_track_data(filepath):
|
||||
"""
|
||||
Read a collision_track file and return a sorted array composed
|
||||
of flatten arrays of collision information.
|
||||
Read a collision_track file and return a sorted array composed of
|
||||
flattened collision records.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
|
|
@ -600,42 +603,58 @@ class CollisionTrackTestHarness(PyAPITestHarness):
|
|||
Returns
|
||||
-------
|
||||
data : np.array
|
||||
Sorted array composed of flatten arrays of collision_track data for
|
||||
each collision information
|
||||
Sorted array composed of flattened collision-track records.
|
||||
"""
|
||||
data = []
|
||||
keys = []
|
||||
|
||||
# Read source file
|
||||
source = openmc.read_collision_track_file(filepath)
|
||||
for src in source:
|
||||
r = src['r']
|
||||
u = src['u']
|
||||
e = src['E']
|
||||
de = src['dE']
|
||||
time = src['time']
|
||||
wgt = src['wgt']
|
||||
delayed_group = src['delayed_group']
|
||||
cell_id = src['cell_id']
|
||||
nuclide_id = src['nuclide_id']
|
||||
material_id = src['material_id']
|
||||
universe_id = src['universe_id']
|
||||
n_collision = src['n_collision']
|
||||
event_mt = src['event_mt']
|
||||
key = (
|
||||
f"{r[0]:.10e} {r[1]:.10e} {r[2]:.10e} {u[0]:.10e} {u[1]:.10e} {u[2]:.10e}"
|
||||
f"{e:.10e} {de:.10e} {time:.10e} {wgt:.10e} {event_mt} {delayed_group} {cell_id}"
|
||||
f"{nuclide_id} {material_id} {universe_id} {n_collision} "
|
||||
)
|
||||
keys.append(key)
|
||||
values = [*r, *u, e, de, time, wgt, event_mt,
|
||||
delayed_group, cell_id, nuclide_id, material_id,
|
||||
universe_id, n_collision]
|
||||
assert len(values) == 17
|
||||
data.append(values)
|
||||
columns = [
|
||||
source['r']['x'],
|
||||
source['r']['y'],
|
||||
source['r']['z'],
|
||||
source['u']['x'],
|
||||
source['u']['y'],
|
||||
source['u']['z'],
|
||||
source['E'],
|
||||
source['dE'],
|
||||
source['time'],
|
||||
source['wgt'],
|
||||
source['event_mt'],
|
||||
source['delayed_group'],
|
||||
source['cell_id'],
|
||||
source['nuclide_id'],
|
||||
source['material_id'],
|
||||
source['universe_id'],
|
||||
source['n_collision'],
|
||||
source['particle'],
|
||||
source['parent_id'],
|
||||
source['progeny_id'],
|
||||
]
|
||||
data = np.column_stack(columns)
|
||||
|
||||
data = np.array(data)
|
||||
keys = np.array(keys)
|
||||
sorted_idx = np.argsort(keys, kind='stable')
|
||||
# Sort by the complete record, prioritizing stable integer identifiers
|
||||
# before floating-point fields. This removes dependence on the order in
|
||||
# which threads append otherwise reproducible collision records.
|
||||
sort_columns = [
|
||||
source['parent_id'],
|
||||
source['progeny_id'],
|
||||
source['n_collision'],
|
||||
source['particle'],
|
||||
source['cell_id'],
|
||||
source['material_id'],
|
||||
source['universe_id'],
|
||||
source['nuclide_id'],
|
||||
source['event_mt'],
|
||||
source['delayed_group'],
|
||||
source['r']['x'],
|
||||
source['r']['y'],
|
||||
source['r']['z'],
|
||||
source['u']['x'],
|
||||
source['u']['y'],
|
||||
source['u']['z'],
|
||||
source['E'],
|
||||
source['dE'],
|
||||
source['time'],
|
||||
source['wgt'],
|
||||
]
|
||||
sorted_idx = np.lexsort(tuple(reversed(sort_columns)))
|
||||
|
||||
return data[sorted_idx]
|
||||
|
|
|
|||
|
|
@ -34,6 +34,7 @@ def geometry():
|
|||
{"max_collisions": 200, "mcpl": True}
|
||||
|
||||
],
|
||||
ids=str
|
||||
)
|
||||
def test_xml_serialization(parameter, run_in_tmpdir):
|
||||
"""Check that the different use cases can be written and read in XML."""
|
||||
|
|
@ -45,7 +46,7 @@ def test_xml_serialization(parameter, run_in_tmpdir):
|
|||
assert read_settings.collision_track == parameter
|
||||
|
||||
|
||||
@pytest.fixture(scope="module")
|
||||
@pytest.fixture
|
||||
def model():
|
||||
"""Simple hydrogen sphere divided in two hemispheres
|
||||
by a z-plane to form 2 cells."""
|
||||
|
|
@ -127,3 +128,43 @@ def test_format_similarity(run_in_tmpdir, model):
|
|||
np.testing.assert_allclose(data_h5, data_mcpl, rtol=1e-05)
|
||||
# tolerance not that low due to the strings that is saved in MCPL,
|
||||
# not enough precision!
|
||||
|
||||
|
||||
def test_photon_particles(run_in_tmpdir, model):
|
||||
"""Test that the collision track can be used to track photon particles."""
|
||||
model.settings.collision_track = {"max_collisions": 200, "cell_ids": [1, 2]}
|
||||
|
||||
model.settings.source = openmc.IndependentSource(
|
||||
space=openmc.stats.Box(*model.geometry.bounding_box),
|
||||
energy=openmc.stats.delta_function(1e5),
|
||||
particle='photon'
|
||||
)
|
||||
model.run()
|
||||
|
||||
with h5py.File("collision_track.h5", "r") as f:
|
||||
source = f["collision_track_bank"]
|
||||
|
||||
assert len(source) < 200
|
||||
|
||||
allowed_particles = (openmc.ParticleType.PHOTON, openmc.ParticleType.ELECTRON)
|
||||
|
||||
for point in source:
|
||||
particle_type = openmc.ParticleType(point['particle'])
|
||||
assert particle_type in allowed_particles
|
||||
|
||||
if particle_type == openmc.ParticleType.ELECTRON:
|
||||
assert point['nuclide_id'] == 0
|
||||
|
||||
|
||||
def test_collision_track_two_threads(model, run_in_tmpdir):
|
||||
# This test checks that the `max_collisions` setting is honored:
|
||||
# no collisions beyond the specified limit should be recorded.
|
||||
#
|
||||
# The exact set of events in the capped bank is not reproducible with
|
||||
# multiple threads because the bank stores whichever thread appends first
|
||||
# until capacity is reached.
|
||||
model.settings.collision_track = {"max_collisions": 200}
|
||||
model.run(threads=2, particles=500)
|
||||
|
||||
collision_track = openmc.read_collision_track_hdf5("collision_track.h5")
|
||||
assert len(collision_track) == 200
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue