12385490469

Committed 18 Dec 2024 02:58AM UTC coverage: 82.673% (-2.2%) from 84.823%

Build # 12385490469

Build Type

Pull #3087

github

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web-flow

Commit Message

Merge 3317476f5 into 775c41512

Pull Request Pull Request #3087: wheel building with scikit build core

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4.49

/src/cmfd_solver.cpp

#include "openmc/cmfd_solver.h"

#include <cmath>

#ifdef _OPENMP
#include <omp.h>
#endif
#include "xtensor/xtensor.hpp"

#include "openmc/bank.h"
#include "openmc/capi.h"
#include "openmc/constants.h"
#include "openmc/error.h"
#include "openmc/mesh.h"
#include "openmc/message_passing.h"
#include "openmc/tallies/filter_energy.h"
#include "openmc/tallies/filter_mesh.h"
#include "openmc/tallies/tally.h"
#include "openmc/vector.h"

namespace openmc {

namespace cmfd {

//==============================================================================
// Global variables
//==============================================================================

vector<int> indptr;

vector<int> indices;

int dim;

double spectral;

int nx, ny, nz, ng;

xt::xtensor<int, 2> indexmap;

int use_all_threads;

StructuredMesh* mesh;

vector<double> egrid;

double norm;

} // namespace cmfd

//==============================================================================
// GET_CMFD_ENERGY_BIN returns the energy bin for a source site energy
//==============================================================================

int get_cmfd_energy_bin(const double E)
{
  // Check if energy is out of grid bounds
  if (E < cmfd::egrid[0]) {
    // throw warning message
    warning("Detected source point below energy grid");
    return 0;
  } else if (E >= cmfd::egrid[cmfd::ng]) {
    // throw warning message
    warning("Detected source point above energy grid");
    return cmfd::ng - 1;
  } else {
    // Iterate through energy grid to find matching bin
    for (int g = 0; g < cmfd::ng; g++) {
      if (E >= cmfd::egrid[g] && E < cmfd::egrid[g + 1]) {
        return g;
      }
    }
  }
  // Return -1 by default
  return -1;
}

//==============================================================================
// COUNT_BANK_SITES bins fission sites according to CMFD mesh and energy
//==============================================================================

xt::xtensor<double, 1> count_bank_sites(
  xt::xtensor<int, 1>& bins, bool* outside)
{
  // Determine shape of array for counts
  std::size_t cnt_size = cmfd::nx * cmfd::ny * cmfd::nz * cmfd::ng;
  vector<std::size_t> cnt_shape = {cnt_size};

  // Create array of zeros
  xt::xarray<double> cnt {cnt_shape, 0.0};
  bool outside_ = false;

  auto bank_size = simulation::source_bank.size();
  for (int i = 0; i < bank_size; i++) {
    const auto& site = simulation::source_bank[i];

    // determine scoring bin for CMFD mesh
    int mesh_bin = cmfd::mesh->get_bin(site.r);

    // if outside mesh, skip particle
    if (mesh_bin < 0) {
      outside_ = true;
      continue;
    }

    // determine scoring bin for CMFD energy
    int energy_bin = get_cmfd_energy_bin(site.E);

    // add to appropriate bin
    cnt(mesh_bin * cmfd::ng + energy_bin) += site.wgt;

    // store bin index which is used again when updating weights
    bins[i] = mesh_bin * cmfd::ng + energy_bin;
  }

  // Create copy of count data. Since ownership will be acquired by xtensor,
  // std::allocator must be used to avoid Valgrind mismatched free() / delete
  // warnings.
  int total = cnt.size();
  double* cnt_reduced = std::allocator<double> {}.allocate(total);

#ifdef OPENMC_MPI
  // collect values from all processors
  MPI_Reduce(
    cnt.data(), cnt_reduced, total, MPI_DOUBLE, MPI_SUM, 0, mpi::intracomm);

  // Check if there were sites outside the mesh for any processor
  MPI_Reduce(&outside_, outside, 1, MPI_C_BOOL, MPI_LOR, 0, mpi::intracomm);

#else
  std::copy(cnt.data(), cnt.data() + total, cnt_reduced);
  *outside = outside_;
#endif

  // Adapt reduced values in array back into an xarray
  auto arr = xt::adapt(cnt_reduced, total, xt::acquire_ownership(), cnt_shape);
  xt::xarray<double> counts = arr;

  return counts;
}

//==============================================================================
// OPENMC_CMFD_REWEIGHT performs reweighting of particles in source bank
//==============================================================================

extern "C" void openmc_cmfd_reweight(
  const bool feedback, const double* cmfd_src)
{
  // Get size of source bank and cmfd_src
  auto bank_size = simulation::source_bank.size();
  std::size_t src_size = cmfd::nx * cmfd::ny * cmfd::nz * cmfd::ng;

  // count bank sites for CMFD mesh, store bins in bank_bins for reweighting
  xt::xtensor<int, 1> bank_bins({bank_size}, 0);
  bool sites_outside;
  xt::xtensor<double, 1> sourcecounts =
    count_bank_sites(bank_bins, &sites_outside);

  // Compute CMFD weightfactors
  xt::xtensor<double, 1> weightfactors = xt::xtensor<double, 1>({src_size}, 1.);
  if (mpi::master) {
    if (sites_outside) {
      fatal_error("Source sites outside of the CMFD mesh");
    }

    double norm = xt::sum(sourcecounts)() / cmfd::norm;
    for (int i = 0; i < src_size; i++) {
      if (sourcecounts[i] > 0 && cmfd_src[i] > 0) {
        weightfactors[i] = cmfd_src[i] * norm / sourcecounts[i];
      }
    }
  }

  if (!feedback)
    return;

#ifdef OPENMC_MPI
  // Send weightfactors to all processors
  MPI_Bcast(weightfactors.data(), src_size, MPI_DOUBLE, 0, mpi::intracomm);
#endif

  // Iterate through fission bank and update particle weights
  for (int64_t i = 0; i < bank_size; i++) {
    auto& site = simulation::source_bank[i];
    site.wgt *= weightfactors(bank_bins(i));
  }
}

//==============================================================================
// OPENMC_INITIALIZE_MESH_EGRID sets the mesh and energy grid for CMFD reweight
//==============================================================================

extern "C" void openmc_initialize_mesh_egrid(
  const int meshtally_id, const int* cmfd_indices, const double norm)
{
  // Make sure all CMFD memory is freed
  free_memory_cmfd();

  // Set CMFD indices
  cmfd::nx = cmfd_indices[0];
  cmfd::ny = cmfd_indices[1];
  cmfd::nz = cmfd_indices[2];
  cmfd::ng = cmfd_indices[3];

  // Set CMFD reweight properties
  cmfd::norm = norm;

  // Find index corresponding to tally id
  int32_t tally_index;
  openmc_get_tally_index(meshtally_id, &tally_index);

  // Get filters assocaited with tally
  const auto& tally_filters = model::tallies[tally_index]->filters();

  // Get mesh filter index
  auto meshfilter_index = tally_filters[0];

  // Store energy filter index if defined, otherwise set to -1
  auto energy_index = (tally_filters.size() == 2) ? tally_filters[1] : -1;

  // Get mesh index from mesh filter index
  int32_t mesh_index;
  openmc_mesh_filter_get_mesh(meshfilter_index, &mesh_index);

  // Get mesh from mesh index
  cmfd::mesh = dynamic_cast<StructuredMesh*>(model::meshes[mesh_index].get());

  // Get energy bins from energy index, otherwise use default
  if (energy_index != -1) {
    auto efilt_base = model::tally_filters[energy_index].get();
    auto* efilt = dynamic_cast<EnergyFilter*>(efilt_base);
    cmfd::egrid = efilt->bins();
  } else {
    cmfd::egrid = {0.0, INFTY};
  }
}

//==============================================================================
// MATRIX_TO_INDICES converts a matrix index to spatial and group
// indices
//==============================================================================

void matrix_to_indices(int irow, int& g, int& i, int& j, int& k)
{
  g = irow % cmfd::ng;
  i = cmfd::indexmap(irow / cmfd::ng, 0);
  j = cmfd::indexmap(irow / cmfd::ng, 1);
  k = cmfd::indexmap(irow / cmfd::ng, 2);
}

//==============================================================================
// GET_DIAGONAL_INDEX returns the index in CSR index array corresponding to
// the diagonal element of a specified row
//==============================================================================

int get_diagonal_index(int row)
{
  for (int j = cmfd::indptr[row]; j < cmfd::indptr[row + 1]; j++) {
    if (cmfd::indices[j] == row)
      return j;
  }

  // Return -1 if not found
  return -1;
}

//==============================================================================
// SET_INDEXMAP sets the elements of indexmap based on input coremap
//==============================================================================

void set_indexmap(const int* coremap)
{
  for (int z = 0; z < cmfd::nz; z++) {
    for (int y = 0; y < cmfd::ny; y++) {
      for (int x = 0; x < cmfd::nx; x++) {
        int idx = (z * cmfd::ny * cmfd::nx) + (y * cmfd::nx) + x;
        if (coremap[idx] != CMFD_NOACCEL) {
          int counter = coremap[idx];
          cmfd::indexmap(counter, 0) = x;
          cmfd::indexmap(counter, 1) = y;
          cmfd::indexmap(counter, 2) = z;
        }
      }
    }
  }
}

//==============================================================================
// CMFD_LINSOLVER_1G solves a one group CMFD linear system
//==============================================================================

int cmfd_linsolver_1g(
  const double* A_data, const double* b, double* x, double tol)
{
  // Set overrelaxation parameter
  double w = 1.0;

  // Perform Gauss-Seidel iterations
  for (int igs = 1; igs <= 10000; igs++) {
    double err = 0.0;

    // Copy over x vector
    vector<double> tmpx {x, x + cmfd::dim};

    // Perform red/black Gauss-Seidel iterations
    for (int irb = 0; irb < 2; irb++) {

// Loop around matrix rows
#pragma omp parallel for reduction(+ : err) if (cmfd::use_all_threads)
      for (int irow = 0; irow < cmfd::dim; irow++) {
        int g, i, j, k;
        matrix_to_indices(irow, g, i, j, k);

        // Filter out black cells
        if ((i + j + k) % 2 != irb)
          continue;

        // Get index of diagonal for current row
        int didx = get_diagonal_index(irow);

        // Perform temporary sums, first do left of diag, then right of diag
        double tmp1 = 0.0;
        for (int icol = cmfd::indptr[irow]; icol < didx; icol++)
          tmp1 += A_data[icol] * x[cmfd::indices[icol]];
        for (int icol = didx + 1; icol < cmfd::indptr[irow + 1]; icol++)
          tmp1 += A_data[icol] * x[cmfd::indices[icol]];

        // Solve for new x
        double x1 = (b[irow] - tmp1) / A_data[didx];

        // Perform overrelaxation
        x[irow] = (1.0 - w) * x[irow] + w * x1;

        // Compute residual and update error
        double res = (tmpx[irow] - x[irow]) / tmpx[irow];
        err += res * res;
      }
    }

    // Check convergence
    err = std::sqrt(err / cmfd::dim);
    if (err < tol)
      return igs;

    // Calculate new overrelaxation parameter
    w = 1.0 / (1.0 - 0.25 * cmfd::spectral * w);
  }

  // Throw error, as max iterations met
  fatal_error("Maximum Gauss-Seidel iterations encountered.");

  // Return -1 by default, although error thrown before reaching this point
  return -1;
}

//==============================================================================
// CMFD_LINSOLVER_2G solves a two group CMFD linear system
//==============================================================================

int cmfd_linsolver_2g(
  const double* A_data, const double* b, double* x, double tol)
{
  // Set overrelaxation parameter
  double w = 1.0;

  // Perform Gauss-Seidel iterations
  for (int igs = 1; igs <= 10000; igs++) {
    double err = 0.0;

    // Copy over x vector
    vector<double> tmpx {x, x + cmfd::dim};

    // Perform red/black Gauss-Seidel iterations
    for (int irb = 0; irb < 2; irb++) {

// Loop around matrix rows
#pragma omp parallel for reduction(+ : err) if (cmfd::use_all_threads)
      for (int irow = 0; irow < cmfd::dim; irow += 2) {
        int g, i, j, k;
        matrix_to_indices(irow, g, i, j, k);

        // Filter out black cells
        if ((i + j + k) % 2 != irb)
          continue;

        // Get index of diagonals for current row and next row
        int d1idx = get_diagonal_index(irow);
        int d2idx = get_diagonal_index(irow + 1);

        // Get block diagonal
        double m11 = A_data[d1idx]; // group 1 diagonal
        double m12 =
          A_data[d1idx + 1]; // group 1 right of diagonal (sorted by col)
        double m21 =
          A_data[d2idx - 1];        // group 2 left of diagonal (sorted by col)
        double m22 = A_data[d2idx]; // group 2 diagonal

        // Analytically invert the diagonal
        double dm = m11 * m22 - m12 * m21;
        double d11 = m22 / dm;
        double d12 = -m12 / dm;
        double d21 = -m21 / dm;
        double d22 = m11 / dm;

        // Perform temporary sums, first do left of diag, then right of diag
        double tmp1 = 0.0;
        double tmp2 = 0.0;
        for (int icol = cmfd::indptr[irow]; icol < d1idx; icol++)
          tmp1 += A_data[icol] * x[cmfd::indices[icol]];
        for (int icol = cmfd::indptr[irow + 1]; icol < d2idx - 1; icol++)
          tmp2 += A_data[icol] * x[cmfd::indices[icol]];
        for (int icol = d1idx + 2; icol < cmfd::indptr[irow + 1]; icol++)
          tmp1 += A_data[icol] * x[cmfd::indices[icol]];
        for (int icol = d2idx + 1; icol < cmfd::indptr[irow + 2]; icol++)
          tmp2 += A_data[icol] * x[cmfd::indices[icol]];

        // Adjust with RHS vector
        tmp1 = b[irow] - tmp1;
        tmp2 = b[irow + 1] - tmp2;

        // Solve for new x
        double x1 = d11 * tmp1 + d12 * tmp2;
        double x2 = d21 * tmp1 + d22 * tmp2;

        // Perform overrelaxation
        x[irow] = (1.0 - w) * x[irow] + w * x1;
        x[irow + 1] = (1.0 - w) * x[irow + 1] + w * x2;

        // Compute residual and update error
        double res = (tmpx[irow] - x[irow]) / tmpx[irow];
        err += res * res;
      }
    }

    // Check convergence
    err = std::sqrt(err / cmfd::dim);
    if (err < tol)
      return igs;

    // Calculate new overrelaxation parameter
    w = 1.0 / (1.0 - 0.25 * cmfd::spectral * w);
  }

  // Throw error, as max iterations met
  fatal_error("Maximum Gauss-Seidel iterations encountered.");

  // Return -1 by default, although error thrown before reaching this point
  return -1;
}

//==============================================================================
// CMFD_LINSOLVER_NG solves a general CMFD linear system
//==============================================================================

int cmfd_linsolver_ng(
  const double* A_data, const double* b, double* x, double tol)
{
  // Set overrelaxation parameter
  double w = 1.0;

  // Perform Gauss-Seidel iterations
  for (int igs = 1; igs <= 10000; igs++) {
    double err = 0.0;

    // Copy over x vector
    vector<double> tmpx {x, x + cmfd::dim};

    // Loop around matrix rows
    for (int irow = 0; irow < cmfd::dim; irow++) {
      // Get index of diagonal for current row
      int didx = get_diagonal_index(irow);

      // Perform temporary sums, first do left of diag, then right of diag
      double tmp1 = 0.0;
      for (int icol = cmfd::indptr[irow]; icol < didx; icol++)
        tmp1 += A_data[icol] * x[cmfd::indices[icol]];
      for (int icol = didx + 1; icol < cmfd::indptr[irow + 1]; icol++)
        tmp1 += A_data[icol] * x[cmfd::indices[icol]];

      // Solve for new x
      double x1 = (b[irow] - tmp1) / A_data[didx];

      // Perform overrelaxation
      x[irow] = (1.0 - w) * x[irow] + w * x1;

      // Compute residual and update error
      double res = (tmpx[irow] - x[irow]) / tmpx[irow];
      err += res * res;
    }

    // Check convergence
    err = std::sqrt(err / cmfd::dim);
    if (err < tol)
      return igs;

    // Calculate new overrelaxation parameter
    w = 1.0 / (1.0 - 0.25 * cmfd::spectral * w);
  }

  // Throw error, as max iterations met
  fatal_error("Maximum Gauss-Seidel iterations encountered.");

  // Return -1 by default, although error thrown before reaching this point
  return -1;
}

//==============================================================================
// OPENMC_INITIALIZE_LINSOLVER sets the fixed variables that are used for the
// linear solver
//==============================================================================

extern "C" void openmc_initialize_linsolver(const int* indptr, int len_indptr,
  const int* indices, int n_elements, int dim, double spectral, const int* map,
  bool use_all_threads)
{
  // Store elements of indptr
  for (int i = 0; i < len_indptr; i++)
    cmfd::indptr.push_back(indptr[i]);

  // Store elements of indices
  for (int i = 0; i < n_elements; i++)
    cmfd::indices.push_back(indices[i]);

  // Set dimenion of CMFD problem and specral radius
  cmfd::dim = dim;
  cmfd::spectral = spectral;

  // Set indexmap if 1 or 2 group problem
  if (cmfd::ng == 1 || cmfd::ng == 2) {
    // Resize indexmap and set its elements
    cmfd::indexmap.resize({static_cast<size_t>(dim), 3});
    set_indexmap(map);
  }

  // Use all threads allocated to OpenMC simulation to run CMFD solver
  cmfd::use_all_threads = use_all_threads;
}

//==============================================================================
// OPENMC_RUN_LINSOLVER runs a Gauss Seidel linear solver to solve CMFD matrix
// equations
//==============================================================================

extern "C" int openmc_run_linsolver(
  const double* A_data, const double* b, double* x, double tol)
{
  switch (cmfd::ng) {
  case 1:
    return cmfd_linsolver_1g(A_data, b, x, tol);
  case 2:
    return cmfd_linsolver_2g(A_data, b, x, tol);
  default:
    return cmfd_linsolver_ng(A_data, b, x, tol);
  }
}

void free_memory_cmfd()
{
  // Clear vectors
  cmfd::indptr.clear();
  cmfd::indices.clear();
  cmfd::egrid.clear();

  // Resize xtensors to be empty
  cmfd::indexmap.resize({0});

  // Set pointers to null
  cmfd::mesh = nullptr;
}

} // namespace openmc

1	#include "openmc/cmfd_solver.h"
2
3	#include <cmath>
4
5	#ifdef _OPENMP
6	#include <omp.h>
7	#endif
8	#include "xtensor/xtensor.hpp"
9
10	#include "openmc/bank.h"
11	#include "openmc/capi.h"
12	#include "openmc/constants.h"
13	#include "openmc/error.h"
14	#include "openmc/mesh.h"
15	#include "openmc/message_passing.h"
16	#include "openmc/tallies/filter_energy.h"
17	#include "openmc/tallies/filter_mesh.h"
18	#include "openmc/tallies/tally.h"
19	#include "openmc/vector.h"
20
21	namespace openmc {
22
23	namespace cmfd {
24
25	//==============================================================================
26	// Global variables
27	//==============================================================================
28
29	vector<int> indptr;
30
31	vector<int> indices;
32
33	int dim;
34
35	double spectral;
36
37	int nx, ny, nz, ng;
38
39	xt::xtensor<int, 2> indexmap;
40
41	int use_all_threads;
42
43	StructuredMesh* mesh;
44
45	vector<double> egrid;
46
47	double norm;
48
49	} // namespace cmfd
50
51	//==============================================================================
52	// GET_CMFD_ENERGY_BIN returns the energy bin for a source site energy
53	//==============================================================================
54
55	int get_cmfd_energy_bin(const double E)	×
56	{
57	// Check if energy is out of grid bounds
58	if (E < cmfd::egrid[0]) {	×
59	// throw warning message
60	warning("Detected source point below energy grid");	×
61	return 0;	×
62	} else if (E >= cmfd::egrid[cmfd::ng]) {	×
63	// throw warning message
64	warning("Detected source point above energy grid");	×
65	return cmfd::ng - 1;	×
66	} else {
67	// Iterate through energy grid to find matching bin
68	for (int g = 0; g < cmfd::ng; g++) {	×
69	if (E >= cmfd::egrid[g] && E < cmfd::egrid[g + 1]) {	×
70	return g;	×
71	}
72	}
73	}
74	// Return -1 by default
75	return -1;	×
76	}
77
78	//==============================================================================
79	// COUNT_BANK_SITES bins fission sites according to CMFD mesh and energy
80	//==============================================================================
81
82	xt::xtensor<double, 1> count_bank_sites(	×
83	xt::xtensor<int, 1>& bins, bool* outside)
84	{
85	// Determine shape of array for counts
86	std::size_t cnt_size = cmfd::nx * cmfd::ny * cmfd::nz * cmfd::ng;	×
87	vector<std::size_t> cnt_shape = {cnt_size};	×
88
89	// Create array of zeros
90	xt::xarray<double> cnt {cnt_shape, 0.0};	×
91	bool outside_ = false;	×
92
93	auto bank_size = simulation::source_bank.size();	×
94	for (int i = 0; i < bank_size; i++) {	×
95	const auto& site = simulation::source_bank[i];	×
96
97	// determine scoring bin for CMFD mesh
98	int mesh_bin = cmfd::mesh->get_bin(site.r);	×
99
100	// if outside mesh, skip particle
101	if (mesh_bin < 0) {	×
102	outside_ = true;	×
103	continue;	×
104	}
105
106	// determine scoring bin for CMFD energy
107	int energy_bin = get_cmfd_energy_bin(site.E);	×
108
109	// add to appropriate bin
110	cnt(mesh_bin * cmfd::ng + energy_bin) += site.wgt;	×
111
112	// store bin index which is used again when updating weights
113	bins[i] = mesh_bin * cmfd::ng + energy_bin;	×
114	}
115
116	// Create copy of count data. Since ownership will be acquired by xtensor,
117	// std::allocator must be used to avoid Valgrind mismatched free() / delete
118	// warnings.
119	int total = cnt.size();	×
120	double* cnt_reduced = std::allocator<double> {}.allocate(total);	×
121
122	#ifdef OPENMC_MPI
123	// collect values from all processors
124	MPI_Reduce(
125	cnt.data(), cnt_reduced, total, MPI_DOUBLE, MPI_SUM, 0, mpi::intracomm);
126
127	// Check if there were sites outside the mesh for any processor
128	MPI_Reduce(&outside_, outside, 1, MPI_C_BOOL, MPI_LOR, 0, mpi::intracomm);
129
130	#else
131	std::copy(cnt.data(), cnt.data() + total, cnt_reduced);
132	*outside = outside_;
133	#endif
134
135	// Adapt reduced values in array back into an xarray
136	auto arr = xt::adapt(cnt_reduced, total, xt::acquire_ownership(), cnt_shape);	×
137	xt::xarray<double> counts = arr;	×
138
139	return counts;	×
140	}
141
142	//==============================================================================
143	// OPENMC_CMFD_REWEIGHT performs reweighting of particles in source bank
144	//==============================================================================
145
146	extern "C" void openmc_cmfd_reweight(	×
147	const bool feedback, const double* cmfd_src)
148	{
149	// Get size of source bank and cmfd_src
150	auto bank_size = simulation::source_bank.size();	×
151	std::size_t src_size = cmfd::nx * cmfd::ny * cmfd::nz * cmfd::ng;	×
152
153	// count bank sites for CMFD mesh, store bins in bank_bins for reweighting
154	xt::xtensor<int, 1> bank_bins({bank_size}, 0);	×
155	bool sites_outside;
156	xt::xtensor<double, 1> sourcecounts =
157	count_bank_sites(bank_bins, &sites_outside);	×
158
159	// Compute CMFD weightfactors
160	xt::xtensor<double, 1> weightfactors = xt::xtensor<double, 1>({src_size}, 1.);	×
161	if (mpi::master) {	×
162	if (sites_outside) {	×
163	fatal_error("Source sites outside of the CMFD mesh");	×
164	}
165
166	double norm = xt::sum(sourcecounts)() / cmfd::norm;	×
167	for (int i = 0; i < src_size; i++) {	×
168	if (sourcecounts[i] > 0 && cmfd_src[i] > 0) {	×
169	weightfactors[i] = cmfd_src[i] * norm / sourcecounts[i];	×
170	}
171	}
172	}
173
174	if (!feedback)	×
175	return;	×
176
177	#ifdef OPENMC_MPI
178	// Send weightfactors to all processors
179	MPI_Bcast(weightfactors.data(), src_size, MPI_DOUBLE, 0, mpi::intracomm);
180	#endif
181
182	// Iterate through fission bank and update particle weights
183	for (int64_t i = 0; i < bank_size; i++) {	×
184	auto& site = simulation::source_bank[i];	×
185	site.wgt *= weightfactors(bank_bins(i));	×
186	}
187	}
188
189	//==============================================================================
190	// OPENMC_INITIALIZE_MESH_EGRID sets the mesh and energy grid for CMFD reweight
191	//==============================================================================
192
193	extern "C" void openmc_initialize_mesh_egrid(	×
194	const int meshtally_id, const int* cmfd_indices, const double norm)
195	{
196	// Make sure all CMFD memory is freed
197	free_memory_cmfd();	×
198
199	// Set CMFD indices
200	cmfd::nx = cmfd_indices[0];	×
201	cmfd::ny = cmfd_indices[1];	×
202	cmfd::nz = cmfd_indices[2];	×
203	cmfd::ng = cmfd_indices[3];	×
204
205	// Set CMFD reweight properties
206	cmfd::norm = norm;	×
207
208	// Find index corresponding to tally id
209	int32_t tally_index;
210	openmc_get_tally_index(meshtally_id, &tally_index);	×
211
212	// Get filters assocaited with tally
213	const auto& tally_filters = model::tallies[tally_index]->filters();	×
214
215	// Get mesh filter index
216	auto meshfilter_index = tally_filters[0];	×
217
218	// Store energy filter index if defined, otherwise set to -1
219	auto energy_index = (tally_filters.size() == 2) ? tally_filters[1] : -1;	×
220
221	// Get mesh index from mesh filter index
222	int32_t mesh_index;
223	openmc_mesh_filter_get_mesh(meshfilter_index, &mesh_index);	×
224
225	// Get mesh from mesh index
226	cmfd::mesh = dynamic_cast<StructuredMesh*>(model::meshes[mesh_index].get());	×
227
228	// Get energy bins from energy index, otherwise use default
229	if (energy_index != -1) {	×
230	auto efilt_base = model::tally_filters[energy_index].get();	×
231	auto* efilt = dynamic_cast<EnergyFilter*>(efilt_base);	×
232	cmfd::egrid = efilt->bins();	×
233	} else {
234	cmfd::egrid = {0.0, INFTY};	×
235	}
236	}
237
238	//==============================================================================
239	// MATRIX_TO_INDICES converts a matrix index to spatial and group
240	// indices
241	//==============================================================================
242
243	void matrix_to_indices(int irow, int& g, int& i, int& j, int& k)	×
244	{
245	g = irow % cmfd::ng;	×
246	i = cmfd::indexmap(irow / cmfd::ng, 0);	×
247	j = cmfd::indexmap(irow / cmfd::ng, 1);	×
248	k = cmfd::indexmap(irow / cmfd::ng, 2);	×
249	}
250
251	//==============================================================================
252	// GET_DIAGONAL_INDEX returns the index in CSR index array corresponding to
253	// the diagonal element of a specified row
254	//==============================================================================
255
256	int get_diagonal_index(int row)	×
257	{
258	for (int j = cmfd::indptr[row]; j < cmfd::indptr[row + 1]; j++) {	×
259	if (cmfd::indices[j] == row)	×
260	return j;	×
261	}
262
263	// Return -1 if not found
264	return -1;	×
265	}
266
267	//==============================================================================
268	// SET_INDEXMAP sets the elements of indexmap based on input coremap
269	//==============================================================================
270
271	void set_indexmap(const int* coremap)	×
272	{
273	for (int z = 0; z < cmfd::nz; z++) {	×
274	for (int y = 0; y < cmfd::ny; y++) {	×
275	for (int x = 0; x < cmfd::nx; x++) {	×
276	int idx = (z * cmfd::ny * cmfd::nx) + (y * cmfd::nx) + x;	×
277	if (coremap[idx] != CMFD_NOACCEL) {	×
278	int counter = coremap[idx];	×
279	cmfd::indexmap(counter, 0) = x;	×
280	cmfd::indexmap(counter, 1) = y;	×
281	cmfd::indexmap(counter, 2) = z;	×
282	}
283	}
284	}
285	}
286	}
287
288	//==============================================================================
289	// CMFD_LINSOLVER_1G solves a one group CMFD linear system
290	//==============================================================================
291
292	int cmfd_linsolver_1g(	×
293	const double* A_data, const double* b, double* x, double tol)
294	{
295	// Set overrelaxation parameter
296	double w = 1.0;	×
297
298	// Perform Gauss-Seidel iterations
299	for (int igs = 1; igs <= 10000; igs++) {	×
300	double err = 0.0;	×
301
302	// Copy over x vector
303	vector<double> tmpx {x, x + cmfd::dim};	×
304
305	// Perform red/black Gauss-Seidel iterations
306	for (int irb = 0; irb < 2; irb++) {	×
307
308	// Loop around matrix rows
309	#pragma omp parallel for reduction(+ : err) if (cmfd::use_all_threads)
310	for (int irow = 0; irow < cmfd::dim; irow++) {
311	int g, i, j, k;
312	matrix_to_indices(irow, g, i, j, k);
313
314	// Filter out black cells
315	if ((i + j + k) % 2 != irb)
316	continue;
317
318	// Get index of diagonal for current row
319	int didx = get_diagonal_index(irow);
320
321	// Perform temporary sums, first do left of diag, then right of diag
322	double tmp1 = 0.0;
323	for (int icol = cmfd::indptr[irow]; icol < didx; icol++)
324	tmp1 += A_data[icol] * x[cmfd::indices[icol]];
325	for (int icol = didx + 1; icol < cmfd::indptr[irow + 1]; icol++)
326	tmp1 += A_data[icol] * x[cmfd::indices[icol]];
327
328	// Solve for new x
329	double x1 = (b[irow] - tmp1) / A_data[didx];
330
331	// Perform overrelaxation
332	x[irow] = (1.0 - w) * x[irow] + w * x1;
333
334	// Compute residual and update error
335	double res = (tmpx[irow] - x[irow]) / tmpx[irow];
336	err += res * res;
337	}
338	}
339
340	// Check convergence
341	err = std::sqrt(err / cmfd::dim);	×
342	if (err < tol)	×
343	return igs;	×
344
345	// Calculate new overrelaxation parameter
346	w = 1.0 / (1.0 - 0.25 * cmfd::spectral * w);	×
347	}
348
349	// Throw error, as max iterations met
350	fatal_error("Maximum Gauss-Seidel iterations encountered.");	×
351
352	// Return -1 by default, although error thrown before reaching this point
353	return -1;
354	}
355
356	//==============================================================================
357	// CMFD_LINSOLVER_2G solves a two group CMFD linear system
358	//==============================================================================
359
360	int cmfd_linsolver_2g(	×
361	const double* A_data, const double* b, double* x, double tol)
362	{
363	// Set overrelaxation parameter
364	double w = 1.0;	×
365
366	// Perform Gauss-Seidel iterations
367	for (int igs = 1; igs <= 10000; igs++) {	×
368	double err = 0.0;	×
369
370	// Copy over x vector
371	vector<double> tmpx {x, x + cmfd::dim};	×
372
373	// Perform red/black Gauss-Seidel iterations
374	for (int irb = 0; irb < 2; irb++) {	×
375
376	// Loop around matrix rows
377	#pragma omp parallel for reduction(+ : err) if (cmfd::use_all_threads)
378	for (int irow = 0; irow < cmfd::dim; irow += 2) {
379	int g, i, j, k;
380	matrix_to_indices(irow, g, i, j, k);
381
382	// Filter out black cells
383	if ((i + j + k) % 2 != irb)
384	continue;
385
386	// Get index of diagonals for current row and next row
387	int d1idx = get_diagonal_index(irow);
388	int d2idx = get_diagonal_index(irow + 1);
389
390	// Get block diagonal
391	double m11 = A_data[d1idx]; // group 1 diagonal
392	double m12 =
393	A_data[d1idx + 1]; // group 1 right of diagonal (sorted by col)
394	double m21 =
395	A_data[d2idx - 1]; // group 2 left of diagonal (sorted by col)
396	double m22 = A_data[d2idx]; // group 2 diagonal
397
398	// Analytically invert the diagonal
399	double dm = m11 * m22 - m12 * m21;
400	double d11 = m22 / dm;
401	double d12 = -m12 / dm;
402	double d21 = -m21 / dm;
403	double d22 = m11 / dm;
404
405	// Perform temporary sums, first do left of diag, then right of diag
406	double tmp1 = 0.0;
407	double tmp2 = 0.0;
408	for (int icol = cmfd::indptr[irow]; icol < d1idx; icol++)
409	tmp1 += A_data[icol] * x[cmfd::indices[icol]];
410	for (int icol = cmfd::indptr[irow + 1]; icol < d2idx - 1; icol++)
411	tmp2 += A_data[icol] * x[cmfd::indices[icol]];
412	for (int icol = d1idx + 2; icol < cmfd::indptr[irow + 1]; icol++)
413	tmp1 += A_data[icol] * x[cmfd::indices[icol]];
414	for (int icol = d2idx + 1; icol < cmfd::indptr[irow + 2]; icol++)
415	tmp2 += A_data[icol] * x[cmfd::indices[icol]];
416
417	// Adjust with RHS vector
418	tmp1 = b[irow] - tmp1;
419	tmp2 = b[irow + 1] - tmp2;
420
421	// Solve for new x
422	double x1 = d11 * tmp1 + d12 * tmp2;
423	double x2 = d21 * tmp1 + d22 * tmp2;
424
425	// Perform overrelaxation
426	x[irow] = (1.0 - w) * x[irow] + w * x1;
427	x[irow + 1] = (1.0 - w) * x[irow + 1] + w * x2;
428
429	// Compute residual and update error
430	double res = (tmpx[irow] - x[irow]) / tmpx[irow];
431	err += res * res;
432	}
433	}
434
435	// Check convergence
436	err = std::sqrt(err / cmfd::dim);	×
437	if (err < tol)	×
438	return igs;	×
439
440	// Calculate new overrelaxation parameter
441	w = 1.0 / (1.0 - 0.25 * cmfd::spectral * w);	×
442	}
443
444	// Throw error, as max iterations met
445	fatal_error("Maximum Gauss-Seidel iterations encountered.");	×
446
447	// Return -1 by default, although error thrown before reaching this point
448	return -1;
449	}
450
451	//==============================================================================
452	// CMFD_LINSOLVER_NG solves a general CMFD linear system
453	//==============================================================================
454
455	int cmfd_linsolver_ng(	×
456	const double* A_data, const double* b, double* x, double tol)
457	{
458	// Set overrelaxation parameter
459	double w = 1.0;	×
460
461	// Perform Gauss-Seidel iterations
462	for (int igs = 1; igs <= 10000; igs++) {	×
463	double err = 0.0;	×
464
465	// Copy over x vector
466	vector<double> tmpx {x, x + cmfd::dim};	×
467
468	// Loop around matrix rows
469	for (int irow = 0; irow < cmfd::dim; irow++) {	×
470	// Get index of diagonal for current row
471	int didx = get_diagonal_index(irow);	×
472
473	// Perform temporary sums, first do left of diag, then right of diag
474	double tmp1 = 0.0;	×
475	for (int icol = cmfd::indptr[irow]; icol < didx; icol++)	×
476	tmp1 += A_data[icol] * x[cmfd::indices[icol]];	×
477	for (int icol = didx + 1; icol < cmfd::indptr[irow + 1]; icol++)	×
478	tmp1 += A_data[icol] * x[cmfd::indices[icol]];	×
479
480	// Solve for new x
481	double x1 = (b[irow] - tmp1) / A_data[didx];	×
482
483	// Perform overrelaxation
484	x[irow] = (1.0 - w) * x[irow] + w * x1;	×
485
486	// Compute residual and update error
487	double res = (tmpx[irow] - x[irow]) / tmpx[irow];	×
488	err += res * res;	×
489	}
490
491	// Check convergence
492	err = std::sqrt(err / cmfd::dim);	×
493	if (err < tol)	×
494	return igs;	×
495
496	// Calculate new overrelaxation parameter
497	w = 1.0 / (1.0 - 0.25 * cmfd::spectral * w);	×
498	}
499
500	// Throw error, as max iterations met
501	fatal_error("Maximum Gauss-Seidel iterations encountered.");	×
502
503	// Return -1 by default, although error thrown before reaching this point
504	return -1;
505	}
506
507	//==============================================================================
508	// OPENMC_INITIALIZE_LINSOLVER sets the fixed variables that are used for the
509	// linear solver
510	//==============================================================================
511
512	extern "C" void openmc_initialize_linsolver(const int* indptr, int len_indptr,	×
513	const int* indices, int n_elements, int dim, double spectral, const int* map,
514	bool use_all_threads)
515	{
516	// Store elements of indptr
517	for (int i = 0; i < len_indptr; i++)	×
518	cmfd::indptr.push_back(indptr[i]);	×
519
520	// Store elements of indices
521	for (int i = 0; i < n_elements; i++)	×
522	cmfd::indices.push_back(indices[i]);	×
523
524	// Set dimenion of CMFD problem and specral radius
525	cmfd::dim = dim;	×
526	cmfd::spectral = spectral;	×
527
528	// Set indexmap if 1 or 2 group problem
529	if (cmfd::ng == 1 \|\| cmfd::ng == 2) {	×
530	// Resize indexmap and set its elements
531	cmfd::indexmap.resize({static_cast<size_t>(dim), 3});	×
532	set_indexmap(map);	×
533	}
534
535	// Use all threads allocated to OpenMC simulation to run CMFD solver
536	cmfd::use_all_threads = use_all_threads;	×
537	}
538
539	//==============================================================================
540	// OPENMC_RUN_LINSOLVER runs a Gauss Seidel linear solver to solve CMFD matrix
541	// equations
542	//==============================================================================
543
544	extern "C" int openmc_run_linsolver(	×
545	const double* A_data, const double* b, double* x, double tol)
546	{
547	switch (cmfd::ng) {	×
548	case 1:	×
549	return cmfd_linsolver_1g(A_data, b, x, tol);	×
550	case 2:	×
551	return cmfd_linsolver_2g(A_data, b, x, tol);	×
552	default:	×
553	return cmfd_linsolver_ng(A_data, b, x, tol);	×
554	}
555	}
556
557	void free_memory_cmfd()	4,469✔
558	{
559	// Clear vectors
560	cmfd::indptr.clear();	4,469✔
561	cmfd::indices.clear();	4,469✔
562	cmfd::egrid.clear();	4,469✔
563
564	// Resize xtensors to be empty
565	cmfd::indexmap.resize({0});	4,469✔
566
567	// Set pointers to null
568	cmfd::mesh = nullptr;	4,469✔
569	}	4,469✔
570
571	} // namespace openmc

openmc-dev / openmc / 12385490469

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