Random Ray Eigenvalue Flux Normalization Change (#3595)

Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>

include/openmc/random_ray/flat_source_domain.h

@@ -170,6 +170,9 @@ protected:
     simulation_volume_; // Total physical volume of the simulation domain, as
                         // defined by the 3D box of the random ray source
 
+  double
+    fission_rate_; // The system's fission rate (per cm^3), in eigenvalue mode
+
   // Volumes for each tally and bin/score combination. This intermediate data
   // structure is used when tallying quantities that must be normalized by
   // volume (i.e., flux). The vector is index by tally index, while the inner 2D

src/eigenvalue.cpp

@@ -403,6 +403,16 @@ void calculate_average_keff()
         t_value *
         std::sqrt(
           (simulation::k_sum[1] / n - std::pow(simulation::keff, 2)) / (n - 1));
+
+      // In some cases (such as an infinite medium problem), random ray
+      // may estimate k exactly and in an unvarying manner between iterations.
+      // In this case, the floating point roundoff between the division and the
+      // power operations may cause an extremely small negative value to occur
+      // inside the sqrt operation, leading to NaN. If this occurs, we check for
+      // it and set the std dev to zero.
+      if (!std::isfinite(simulation::keff_std)) {
+        simulation::keff_std = 0.0;
+      }
     }
   }
 }

src/random_ray/flat_source_domain.cpp

@@ -124,7 +124,9 @@ void FlatSourceDomain::update_single_neutron_source(SourceRegionHandle& srh)
         double chi = chi_[material * negroups_ + g_out];
 
         scatter_source += sigma_s * scalar_flux;
-        fission_source += nu_sigma_f * scalar_flux * chi;
+        if (settings::create_fission_neutrons) {
+          fission_source += nu_sigma_f * scalar_flux * chi;
+        }
       }
       srh.source(g_out) =
         (scatter_source + fission_source * inverse_k_eff) / sigma_t;
@@ -369,6 +371,7 @@ void FlatSourceDomain::compute_k_eff()
   // Adds entropy value to shared entropy vector in openmc namespace.
   simulation::entropy.push_back(H);
 
+  fission_rate_ = fission_rate_new;
   k_eff_ = k_eff_new;
 }
 
@@ -519,12 +522,33 @@ void FlatSourceDomain::reset_tally_volumes()
 // simulation
 double FlatSourceDomain::compute_fixed_source_normalization_factor() const
 {
-  // If we are not in fixed source mode, then there are no external sources
-  // so no normalization is needed.
-  if (settings::run_mode != RunMode::FIXED_SOURCE || adjoint_) {
+  // Eigenvalue mode normalization
+  if (settings::run_mode == RunMode::EIGENVALUE) {
+    // Normalize fluxes by total number of fission neutrons produced. This
+    // ensures consistent scaling of the eigenvector such that its magnitude is
+    // comparable to the eigenvector produced by the Monte Carlo solver.
+    // Multiplying by the eigenvalue is unintuitive, but it is necessary.
+    // If the eigenvalue is 1.2, per starting source neutron, you will
+    // generate 1.2 neutrons. Thus if we normalize to generating only ONE
+    // neutron in total for the whole domain, then we don't actually have enough
+    // flux to generate the required 1.2 neutrons. We only know the flux
+    // required to generate 1 neutron (which would have required less than one
+    // starting neutron). Thus, you have to scale the flux up by the eigenvalue
+    // such that 1.2 neutrons are generated, so as to be consistent with the
+    // bookkeeping in MC which is all done per starting source neutron (not per
+    // neutron produced).
+    return k_eff_ / (fission_rate_ * simulation_volume_);
+  }
+
+  // If we are in adjoint mode of a fixed source problem, the external
+  // source is already normalized, such that all resulting fluxes are
+  // also normalized.
+  if (adjoint_) {
     return 1.0;
   }
 
+  // Fixed source mode normalization
+
   // Step 1 is to sum over all source regions and energy groups to get the
   // total external source strength in the simulation.
   double simulation_external_source_strength = 0.0;

src/random_ray/linear_source_domain.cpp

@@ -68,9 +68,11 @@ void LinearSourceDomain::update_single_neutron_source(SourceRegionHandle& srh)
 
         // Compute source terms for flat and linear components of the flux
         scatter_flat += sigma_s * flux_flat;
-        fission_flat += nu_sigma_f * flux_flat * chi;
         scatter_linear += sigma_s * flux_linear;
-        fission_linear += nu_sigma_f * flux_linear * chi;
+        if (settings::create_fission_neutrons) {
+          fission_flat += nu_sigma_f * flux_flat * chi;
+          fission_linear += nu_sigma_f * flux_linear * chi;
+        }
       }
 
       // Compute the flat source term

tests/regression_tests/random_ray_adjoint_k_eff/results_true.dat

@@ -1,171 +1,171 @@
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 1.006640E+00 1.812969E-03
 tally 1:
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tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat

@@ -1,2 +1,2 @@
 k-combined:
-7.797820E-01 1.054725E-02
+7.797252E-01 1.055731E-02

tests/regression_tests/random_ray_auto_convert/material_wise/results_true.dat

@@ -1,2 +1,2 @@
 k-combined:
-7.356667E-01 6.637270E-03
+7.372542E-01 6.967831E-03

tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat

@@ -1,2 +1,2 @@
 k-combined:
-7.551716E-01 8.117378E-03
+7.496641E-01 8.282032E-03

tests/regression_tests/random_ray_auto_convert/test.py

@@ -27,7 +27,7 @@ def test_random_ray_auto_convert(method):
 
         # Convert to a multi-group model
         model.convert_to_multigroup(
-            method=method, groups='CASMO-2', nparticles=30,
+            method=method, groups='CASMO-2', nparticles=100,
             overwrite_mgxs_library=False, mgxs_path="mgxs.h5"
         )
 

tests/regression_tests/random_ray_diagonal_stabilization/results_true.dat

@@ -1,2 +1,2 @@
 k-combined:
-7.201808E-01 1.506596E-02
+7.134473E-01 1.422763E-02

tests/regression_tests/random_ray_diagonal_stabilization/test.py

@@ -23,7 +23,7 @@ def test_random_ray_diagonal_stabilization():
     # MGXS data with some negatives on the diagonal, in order
     # to trigger diagonal correction.
     model.convert_to_multigroup(
-        method='material_wise', groups='CASMO-70', nparticles=30,
+        method='material_wise', groups='CASMO-70', nparticles=13,
         overwrite_mgxs_library=True, mgxs_path="mgxs.h5", correction='P0'
     )
 

tests/regression_tests/random_ray_halton_samples/results_true.dat

@@ -1,171 +1,171 @@
 k-combined:
 8.388051E-01 7.383265E-03
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tests/regression_tests/random_ray_k_eff/results_true.dat

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tests/regression_tests/random_ray_k_eff_mesh/results_true.dat

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tests/regression_tests/random_ray_linear/linear/results_true.dat

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