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openmc-dev / openmc / 29079049279

10 Jul 2026 08:12AM UTC coverage: 80.467% (-0.8%) from 81.292%
29079049279

Pull #3951

github

web-flow
Merge b5a65303a into 7c408f6a1
Pull Request #3951: wwinp files: Fix MemoryError in WeightWindowsList.export_to_hdf5 and speed up from_wwinp. Alternative Approach

16741 of 24259 branches covered (69.01%)

Branch coverage included in aggregate %.

70 of 132 new or added lines in 10 files covered. (53.03%)

790 existing lines in 49 files now uncovered.

57487 of 67988 relevant lines covered (84.55%)

28150237.78 hits per line

Source File
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81.74
/src/output.cpp
1
#include "openmc/output.h"
2

3
#include <algorithm> // for transform, max
4
#include <cstdio>    // for stdout
5
#include <cstring>   // for strlen
6
#include <ctime>     // for time, localtime
7
#include <fstream>
8
#include <iomanip> // for setw, setprecision, put_time
9
#include <ios>     // for fixed, scientific, left
10
#include <iostream>
11
#include <sstream>
12
#include <unordered_map>
13
#include <utility> // for pair
14

15
#include <fmt/core.h>
16
#include <fmt/ostream.h>
17
#ifdef _OPENMP
18
#include <omp.h>
19
#endif
20
#include "openmc/tensor.h"
21

22
#include "openmc/capi.h"
23
#include "openmc/cell.h"
24
#include "openmc/constants.h"
25
#include "openmc/eigenvalue.h"
26
#include "openmc/error.h"
27
#include "openmc/geometry.h"
28
#include "openmc/lattice.h"
29
#include "openmc/math_functions.h"
30
#include "openmc/message_passing.h"
31
#include "openmc/mgxs_interface.h"
32
#include "openmc/nuclide.h"
33
#include "openmc/plot.h"
34
#include "openmc/random_ray/flat_source_domain.h"
35
#include "openmc/reaction.h"
36
#include "openmc/settings.h"
37
#include "openmc/simulation.h"
38
#include "openmc/surface.h"
39
#include "openmc/tallies/derivative.h"
40
#include "openmc/tallies/filter.h"
41
#include "openmc/tallies/tally.h"
42
#include "openmc/tallies/tally_scoring.h"
43
#include "openmc/timer.h"
44

45
namespace openmc {
46

47
#ifdef OPENMC_ENABLE_STRICT_FP
48
const bool STRICT_FP_ENABLED = true;
49
#else
50
const bool STRICT_FP_ENABLED = false;
51
#endif
52

53
//==============================================================================
54

55
void title()
2,788✔
56
{
57
  fmt::print("                                %%%%%%%%%%%%%%%\n"
2,788✔
58
             "                           %%%%%%%%%%%%%%%%%%%%%%%%\n"
59
             "                        %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%\n"
60
             "                      %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%\n"
61
             "                    %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%\n"
62
             "                   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%\n"
63
             "                                    %%%%%%%%%%%%%%%%%%%%%%%%\n"
64
             "                                     %%%%%%%%%%%%%%%%%%%%%%%%\n"
65
             "                 ###############      %%%%%%%%%%%%%%%%%%%%%%%%\n"
66
             "                ##################     %%%%%%%%%%%%%%%%%%%%%%%\n"
67
             "                ###################     %%%%%%%%%%%%%%%%%%%%%%%\n"
68
             "                ####################     %%%%%%%%%%%%%%%%%%%%%%\n"
69
             "                #####################     %%%%%%%%%%%%%%%%%%%%%\n"
70
             "                ######################     %%%%%%%%%%%%%%%%%%%%\n"
71
             "                #######################     %%%%%%%%%%%%%%%%%%\n"
72
             "                 #######################     %%%%%%%%%%%%%%%%%\n"
73
             "                 ######################     %%%%%%%%%%%%%%%%%\n"
74
             "                  ####################     %%%%%%%%%%%%%%%%%\n"
75
             "                    #################     %%%%%%%%%%%%%%%%%\n"
76
             "                     ###############     %%%%%%%%%%%%%%%%\n"
77
             "                       ############     %%%%%%%%%%%%%%%\n"
78
             "                          ########     %%%%%%%%%%%%%%\n"
79
             "                                      %%%%%%%%%%%\n\n");
80

81
  // Write version information
82
  fmt::print(
5,576✔
83
    "                 | The OpenMC Monte Carlo Code\n"
84
    "       Copyright | 2011-2026 MIT, UChicago Argonne LLC, and contributors\n"
85
    "         License | https://docs.openmc.org/en/latest/license.html\n"
86
    "         Version | {}.{}.{}{}{}\n",
87
    VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE, VERSION_DEV ? "-dev" : "",
2,788✔
88
    VERSION_COMMIT_COUNT);
89
  fmt::print("     Commit Hash | {}\n", VERSION_COMMIT_HASH);
2,788✔
90

91
  // Write the date and time
92
  fmt::print("       Date/Time | {}\n", time_stamp());
2,788✔
93

94
#ifdef OPENMC_MPI
95
  // Write number of processors
96
  fmt::print("   MPI Processes | {}\n", mpi::n_procs);
97
#endif
98

99
#ifdef _OPENMP
100
  // Write number of OpenMP threads
101
  fmt::print("  OpenMP Threads | {}\n", omp_get_max_threads());
102
#endif
103
  fmt::print("\n");
2,788✔
104
  std::fflush(stdout);
2,788✔
105
}
2,788✔
106

107
//==============================================================================
108

109
std::string header(const char* msg)
14,808✔
110
{
111
  // Determine how many times to repeat the '=' character.
112
  int n_prefix = (63 - strlen(msg)) / 2;
14,808✔
113
  int n_suffix = n_prefix;
14,808✔
114
  if ((strlen(msg) % 2) == 0)
14,808✔
115
    ++n_suffix;
2,960✔
116

117
  // Convert to uppercase.
118
  std::string upper(msg);
14,808✔
119
  std::transform(upper.begin(), upper.end(), upper.begin(), ::toupper);
14,808✔
120

121
  // Add ===>  <=== markers.
122
  std::stringstream out;
14,808✔
123
  out << ' ';
14,808✔
124
  for (int i = 0; i < n_prefix; i++)
375,464✔
125
    out << '=';
360,656✔
126
  out << ">     " << upper << "     <";
14,808✔
127
  for (int i = 0; i < n_suffix; i++)
378,424✔
128
    out << '=';
363,616✔
129

130
  return out.str();
14,808✔
131
}
14,808✔
132

133
std::string header(const std::string& msg)
7,312✔
134
{
135
  return header(msg.c_str());
7,312✔
136
}
137

138
void header(const char* msg, int level)
7,496✔
139
{
140
  auto out = header(msg);
7,496✔
141

142
  // Print header based on verbosity level.
143
  if (settings::verbosity >= level) {
7,496✔
144
    fmt::print("\n{}\n\n", out);
7,332✔
145
    std::fflush(stdout);
7,332✔
146
  }
147
}
7,496✔
148

149
//==============================================================================
150

151
std::string time_stamp()
8,384✔
152
{
153
  std::stringstream ts;
8,384✔
154
  std::time_t t = std::time(nullptr); // get time now
8,384✔
155
  ts << std::put_time(std::localtime(&t), "%Y-%m-%d %H:%M:%S");
8,384✔
156
  return ts.str();
16,768✔
157
}
8,384✔
158

159
//==============================================================================
160

161
void print_particle(Particle& p)
16✔
162
{
163
  // Display particle type and ID.
164
  switch (p.type().pdg_number()) {
16!
165
  case PDG_NEUTRON:
16✔
166
    fmt::print("Neutron ");
16✔
167
    break;
16✔
168
  case PDG_PHOTON:
×
169
    fmt::print("Photon ");
×
170
    break;
×
171
  case PDG_ELECTRON:
×
172
    fmt::print("Electron ");
×
173
    break;
×
174
  case PDG_POSITRON:
×
175
    fmt::print("Positron ");
×
176
    break;
×
177
  default:
×
178
    fmt::print("Particle {} ", p.type().str());
×
179
  }
180
  fmt::print("{}\n", p.id());
16✔
181

182
  // Display particle geometry hierarchy.
183
  for (auto i = 0; i < p.n_coord(); i++) {
32✔
184
    fmt::print("  Level {}\n", i);
16✔
185

186
    if (p.coord(i).cell() != C_NONE) {
16!
187
      const Cell& c {*model::cells[p.coord(i).cell()]};
16✔
188
      fmt::print("    Cell             = {}\n", c.id_);
16✔
189
    }
190

191
    if (p.coord(i).universe() != C_NONE) {
16!
192
      const Universe& u {*model::universes[p.coord(i).universe()]};
16✔
193
      fmt::print("    Universe         = {}\n", u.id_);
16✔
194
    }
195

196
    if (p.coord(i).lattice() != C_NONE) {
16!
197
      const Lattice& lat {*model::lattices[p.coord(i).lattice()]};
×
198
      fmt::print("    Lattice          = {}\n", lat.id_);
×
199
      fmt::print("    Lattice position = ({},{},{})\n",
×
200
        p.coord(i).lattice_index()[0], p.coord(i).lattice_index()[1],
×
201
        p.coord(i).lattice_index()[2]);
×
202
    }
203

204
    fmt::print("    r = {}\n", p.coord(i).r());
16✔
205
    fmt::print("    u = {}\n", p.coord(i).u());
16✔
206
  }
207

208
  // Display miscellaneous info.
209
  if (p.surface() != SURFACE_NONE) {
16!
210
    // Surfaces identifiers are >= 1, but indices are >= 0 so we need -1
211
    const Surface& surf {*model::surfaces[p.surface_index()]};
×
212
    fmt::print("  Surface = {}\n", (p.surface() > 0) ? surf.id_ : -surf.id_);
×
213
  }
214
  fmt::print("  Weight = {}\n", p.wgt());
16✔
215
  if (settings::run_CE) {
16!
216
    fmt::print("  Energy = {}\n", p.E());
16✔
217
  } else {
218
    fmt::print("  Energy Group = {}\n", p.g());
×
219
  }
220
  fmt::print("  Delayed Group = {}\n\n", p.delayed_group());
16✔
221
}
16✔
222

223
//==============================================================================
224

225
void print_plot()
32✔
226
{
227
  header("PLOTTING SUMMARY", 5);
32✔
228
  if (settings::verbosity < 5)
32!
229
    return;
230

231
  for (const auto& pl : model::plots) {
120✔
232
    fmt::print("Plot ID: {}\n", pl->id());
88✔
233
    fmt::print("Plot file: {}\n", pl->path_plot());
88✔
234
    fmt::print("Universe depth: {}\n", pl->level());
88✔
235
    pl->print_info(); // prints type-specific plot info
88✔
236
    fmt::print("\n");
88✔
237
  }
238
}
239

240
//==============================================================================
241

242
void print_overlap_check()
×
243
{
244
#ifdef OPENMC_MPI
245
  vector<int64_t> temp(model::overlap_check_count);
246
  MPI_Reduce(temp.data(), model::overlap_check_count.data(),
247
    model::overlap_check_count.size(), MPI_INT64_T, MPI_SUM, 0, mpi::intracomm);
248
#endif
249

250
  if (mpi::master) {
×
251
    header("cell overlap check summary", 1);
×
252
    fmt::print(" Cell ID      No. Overlap Checks\n");
×
253

254
    vector<int32_t> sparse_cell_ids;
×
255
    for (int i = 0; i < model::cells.size(); i++) {
×
256
      fmt::print(
×
257
        " {:8} {:17}\n", model::cells[i]->id_, model::overlap_check_count[i]);
×
258
      if (model::overlap_check_count[i] < 10) {
×
259
        sparse_cell_ids.push_back(model::cells[i]->id_);
×
260
      }
261
    }
262

263
    fmt::print("\n There were {} cells with less than 10 overlap checks\n",
×
264
      sparse_cell_ids.size());
×
265
    for (auto id : sparse_cell_ids) {
×
266
      fmt::print(" {}", id);
×
267
    }
268
    fmt::print("\n");
×
269
  }
×
270
}
×
271

272
//==============================================================================
273

274
void print_usage()
×
275
{
276
  if (mpi::master) {
×
277
    fmt::print(
×
278
      "Usage: openmc [options] [path]\n\n"
279
      "Options:\n"
280
      "  -c, --volume           Run in stochastic volume calculation mode\n"
281
      "  -g, --geometry-debug   Run with geometry debugging on\n"
282
      "  -n, --particles        Number of particles per generation\n"
283
      "  -p, --plot             Run in plotting mode\n"
284
      "  -r, --restart          Restart a previous run from a state point\n"
285
      "                         or a particle restart file\n"
286
      "  -s, --threads          Number of OpenMP threads\n"
287
      "  -t, --track            Write tracks for all particles (up to "
288
      "max_tracks)\n"
289
      "  -e, --event            Run using event-based parallelism\n"
290
      "  -q, --verbosity        Output verbosity\n"
291
      "  -v, --version          Show version information\n"
292
      "  -h, --help             Show this message\n");
293
  }
294
}
×
295

296
//==============================================================================
297

298
void print_version()
4✔
299
{
300
  if (mpi::master) {
4!
301
    fmt::print("OpenMC version {}.{}.{}{}{}\n", VERSION_MAJOR, VERSION_MINOR,
8✔
302
      VERSION_RELEASE, VERSION_DEV ? "-dev" : "", VERSION_COMMIT_COUNT);
4✔
303
    fmt::print("Commit hash: {}\n", VERSION_COMMIT_HASH);
4✔
304
    fmt::print("Copyright (c) 2011-2026 MIT, UChicago Argonne LLC, and "
4✔
305
               "contributors\nMIT/X license at "
306
               "<https://docs.openmc.org/en/latest/license.html>\n");
307
  }
308
}
4✔
309

310
//==============================================================================
311

312
void print_build_info()
4✔
313
{
314
  const std::string n("no");
4✔
315
  const std::string y("yes");
4✔
316

317
  std::string mpi(n);
4✔
318
  std::string phdf5(n);
4✔
319
  std::string dagmc(n);
4✔
320
  std::string libmesh(n);
4✔
321
  std::string png(n);
4✔
322
  std::string profiling(n);
4✔
323
  std::string coverage(n);
4✔
324
  std::string uwuw(n);
4✔
325
  std::string strict_fp(n);
4✔
326

327
#ifdef PHDF5
328
  phdf5 = y;
329
#endif
330
#ifdef OPENMC_MPI
331
  mpi = y;
332
#endif
333
#ifdef OPENMC_DAGMC_ENABLED
334
  dagmc = y;
335
#endif
336
#ifdef OPENMC_LIBMESH_ENABLED
337
  libmesh = y;
338
#endif
339
#ifdef USE_LIBPNG
340
  png = y;
4✔
341
#endif
342
#ifdef PROFILINGBUILD
343
  profiling = y;
344
#endif
345
#ifdef COVERAGEBUILD
346
  coverage = y;
4✔
347
#endif
348
#ifdef OPENMC_UWUW_ENABLED
349
  uwuw = y;
350
#endif
351
#ifdef OPENMC_ENABLE_STRICT_FP
352
  strict_fp = y;
4✔
353
#endif
354

355
  // Wraps macro variables in quotes
356
#define STRINGIFY(x) STRINGIFY2(x)
357
#define STRINGIFY2(x) #x
358

359
  if (mpi::master) {
4!
360
    fmt::print("Build type:            {}\n", STRINGIFY(BUILD_TYPE));
4✔
361
    fmt::print("Compiler ID:           {} {}\n", STRINGIFY(COMPILER_ID),
4✔
362
      STRINGIFY(COMPILER_VERSION));
363
    fmt::print("MPI enabled:           {}\n", mpi);
4✔
364
    fmt::print("Parallel HDF5 enabled: {}\n", phdf5);
4✔
365
    fmt::print("PNG support:           {}\n", png);
4✔
366
    fmt::print("DAGMC support:         {}\n", dagmc);
4✔
367
    fmt::print("libMesh support:       {}\n", libmesh);
4✔
368
    fmt::print("Coverage testing:      {}\n", coverage);
4✔
369
    fmt::print("Profiling flags:       {}\n", profiling);
4✔
370
    fmt::print("UWUW support:          {}\n", uwuw);
4✔
371
    fmt::print("Strict FP:             {}\n", strict_fp);
4✔
372
  }
373
}
4✔
374

375
//==============================================================================
376

377
void print_columns()
1,240✔
378
{
379
  if (settings::entropy_on) {
1,240✔
380
    fmt::print("  Bat./Gen.      k       Entropy         Average k \n"
180✔
381
               "  =========   ========   ========   ====================\n");
382
  } else {
383
    fmt::print("  Bat./Gen.      k            Average k\n"
1,060✔
384
               "  =========   ========   ====================\n");
385
  }
386
}
1,240✔
387

388
//==============================================================================
389

390
void print_generation()
27,672✔
391
{
392
  // Determine overall generation index and number of active generations
393
  int idx = overall_generation() - 1;
27,672✔
394
  int n = simulation::current_batch > settings::n_inactive
55,344✔
395
            ? settings::gen_per_batch * simulation::n_realizations +
27,672✔
396
                simulation::current_gen
397
            : 0;
398

399
  // write out batch/generation and generation k-effective
400
  auto batch_and_gen = std::to_string(simulation::current_batch) + "/" +
55,344✔
401
                       std::to_string(simulation::current_gen);
55,344✔
402
  fmt::print("  {:>9}   {:8.5f}", batch_and_gen, simulation::k_generation[idx]);
27,672✔
403

404
  // write out entropy info
405
  if (settings::entropy_on) {
27,672✔
406
    fmt::print("   {:8.5f}", simulation::entropy[idx]);
4,820✔
407
  }
408

409
  if (n > 1) {
27,672✔
410
    fmt::print("   {:8.5f} +/-{:8.5f}", simulation::keff, simulation::keff_std);
19,504✔
411
  }
412
  fmt::print("\n");
27,672✔
413
  std::fflush(stdout);
27,672✔
414
}
27,672✔
415

416
//==============================================================================
417

418
void show_time(const char* label, double secs, int indent_level)
26,320✔
419
{
420
  int width = 33 - indent_level * 2;
26,320✔
421
  fmt::print("{0:{1}} {2:<{3}} = {4:>10.4e} seconds\n", "", 2 * indent_level,
26,320✔
422
    label, width, secs);
423
}
26,320✔
424

425
void show_rate(const char* label, double particles_per_sec)
2,912✔
426
{
427
  fmt::print(" {:<33} = {:.6} particles/second\n", label, particles_per_sec);
2,912✔
428
}
2,912✔
429

430
void print_runtime()
2,092✔
431
{
432
  using namespace simulation;
2,092✔
433

434
  // display header block
435
  header("Timing Statistics", 6);
2,092✔
436
  if (settings::verbosity < 6)
2,092!
437
    return;
438

439
  // display time elapsed for various sections
440
  show_time("Total time for initialization", time_initialize.elapsed());
2,092✔
441
  show_time("Reading cross sections", time_read_xs.elapsed(), 1);
2,092✔
442
  show_time("Total time in simulation",
2,092✔
443
    time_inactive.elapsed() + time_active.elapsed());
2,092✔
444
  show_time("Time in transport only", time_transport.elapsed(), 1);
2,092✔
445
  if (settings::event_based) {
2,092!
UNCOV
446
    show_time("Particle initialization", time_event_init.elapsed(), 2);
×
UNCOV
447
    show_time("XS lookups", time_event_calculate_xs.elapsed(), 2);
×
UNCOV
448
    show_time("Advancing", time_event_advance_particle.elapsed(), 2);
×
UNCOV
449
    show_time("Surface crossings", time_event_surface_crossing.elapsed(), 2);
×
UNCOV
450
    show_time("Collisions", time_event_collision.elapsed(), 2);
×
UNCOV
451
    show_time("Particle death", time_event_death.elapsed(), 2);
×
452
  }
453
  if (settings::run_mode == RunMode::EIGENVALUE) {
2,092✔
454
    show_time("Time in inactive batches", time_inactive.elapsed(), 1);
1,140✔
455
  }
456
  show_time("Time in active batches", time_active.elapsed(), 1);
2,092✔
457
  if (settings::run_mode == RunMode::EIGENVALUE) {
2,092✔
458
    show_time("Time synchronizing fission bank", time_bank.elapsed(), 1);
1,140✔
459
    show_time("Sampling source sites", time_bank_sample.elapsed(), 2);
1,140✔
460
    show_time("SEND/RECV source sites", time_bank_sendrecv.elapsed(), 2);
1,140✔
461
  }
462
  show_time("Time accumulating tallies", time_tallies.elapsed(), 1);
2,092✔
463
  show_time("Time writing statepoints", time_statepoint.elapsed(), 1);
2,092✔
464
  show_time("Total time for finalization", time_finalize.elapsed());
2,092✔
465
  show_time("Total time elapsed", time_total.elapsed());
2,092✔
466

467
  // Calculate particle rate in active/inactive batches
468
  int n_active = simulation::current_batch - settings::n_inactive;
2,092✔
469
  double speed_inactive = 0.0;
2,092✔
470
  double speed_active;
2,092✔
471
  if (settings::restart_run) {
2,092✔
472
    if (simulation::restart_batch < settings::n_inactive) {
12!
473
      speed_inactive = (settings::n_particles *
×
474
                         (settings::n_inactive - simulation::restart_batch) *
×
475
                         settings::gen_per_batch) /
×
476
                       time_inactive.elapsed();
×
477
      speed_active =
×
478
        (settings::n_particles * n_active * settings::gen_per_batch) /
×
479
        time_active.elapsed();
×
480
    } else {
481
      speed_active = (settings::n_particles *
12✔
482
                       (settings::n_batches - simulation::restart_batch) *
12✔
483
                       settings::gen_per_batch) /
12✔
484
                     time_active.elapsed();
12✔
485
    }
486
  } else {
487
    if (settings::n_inactive > 0) {
2,080✔
488
      speed_inactive = (settings::n_particles * settings::n_inactive *
820✔
489
                         settings::gen_per_batch) /
820✔
490
                       time_inactive.elapsed();
820✔
491
    }
492
    speed_active =
2,080✔
493
      (settings::n_particles * n_active * settings::gen_per_batch) /
2,080✔
494
      time_active.elapsed();
2,080✔
495
  }
496

497
  // display calculation rate
498
  if (!(settings::restart_run &&
2,092✔
499
        (simulation::restart_batch >= settings::n_inactive)) &&
12!
500
      settings::n_inactive > 0) {
2,080✔
501
    show_rate("Calculation Rate (inactive)", speed_inactive);
820✔
502
  }
503
  show_rate("Calculation Rate (active)", speed_active);
2,092✔
504

505
  // Display track rate when weight windows are enabled
506
  if (settings::weight_windows_on) {
2,092✔
507
    double speed_tracks =
108✔
508
      simulation::simulation_tracks_completed / time_active.elapsed();
108✔
509
    fmt::print(
108✔
510
      " {:<33} = {:.6} tracks/second\n", "Track Rate (active)", speed_tracks);
511
  }
512
}
513

514
//==============================================================================
515

516
std::pair<double, double> mean_stdev(const double* x, int n)
4,999,724✔
517
{
518
  double mean = x[static_cast<int>(TallyResult::SUM)] / n;
4,999,724✔
519
  double stdev =
4,999,724✔
520
    n > 1 ? std::sqrt(std::max(0.0,
9,996,452✔
521
              (x[static_cast<int>(TallyResult::SUM_SQ)] / n - mean * mean) /
9,996,452✔
522
                (n - 1)))
4,996,728✔
523
          : 0.0;
4,999,724✔
524
  return {mean, stdev};
4,999,724✔
525
}
526

527
//==============================================================================
528

529
void print_results()
2,092✔
530
{
531
  // display header block for results
532
  header("Results", 4);
2,092✔
533
  if (settings::verbosity < 4)
2,092!
534
    return;
×
535

536
  // Calculate t-value for confidence intervals
537
  int n = simulation::n_realizations;
2,092✔
538
  double alpha, t_n1, t_n3;
2,092✔
539
  if (settings::confidence_intervals) {
2,092✔
540
    alpha = 1.0 - CONFIDENCE_LEVEL;
4✔
541
    t_n1 = t_percentile(1.0 - alpha / 2.0, n - 1);
4✔
542
    t_n3 = t_percentile(1.0 - alpha / 2.0, n - 3);
4✔
543
  } else {
544
    t_n1 = 1.0;
545
    t_n3 = 1.0;
546
  }
547

548
  // write global tallies
549
  const auto& gt = simulation::global_tallies;
2,092✔
550
  double mean, stdev;
2,092✔
551
  if (n > 1) {
2,092✔
552
    if (settings::run_mode == RunMode::EIGENVALUE) {
1,940✔
553
      std::tie(mean, stdev) = mean_stdev(&gt(GlobalTally::K_COLLISION, 0), n);
1,100✔
554
      fmt::print(" k-effective (Collision)     = {:.5f} +/- {:.5f}\n", mean,
2,200✔
555
        t_n1 * stdev);
1,100✔
556
      std::tie(mean, stdev) = mean_stdev(&gt(GlobalTally::K_TRACKLENGTH, 0), n);
1,100✔
557
      fmt::print(" k-effective (Track-length)  = {:.5f} +/- {:.5f}\n", mean,
2,200✔
558
        t_n1 * stdev);
1,100✔
559
      std::tie(mean, stdev) = mean_stdev(&gt(GlobalTally::K_ABSORPTION, 0), n);
1,100✔
560
      fmt::print(" k-effective (Absorption)    = {:.5f} +/- {:.5f}\n", mean,
2,200✔
561
        t_n1 * stdev);
1,100✔
562
      if (n > 3) {
1,100✔
563
        double k_combined[2];
1,076✔
564
        openmc_get_keff(k_combined);
1,076✔
565
        fmt::print(" Combined k-effective        = {:.5f} +/- {:.5f}\n",
1,076✔
566
          k_combined[0], k_combined[1]);
567
      }
568
    }
569
    std::tie(mean, stdev) = mean_stdev(&gt(GlobalTally::LEAKAGE, 0), n);
1,940✔
570
    fmt::print(
3,880✔
571
      " Leakage Fraction            = {:.5f} +/- {:.5f}\n", mean, t_n1 * stdev);
1,940✔
572
  } else {
573
    if (mpi::master)
152!
574
      warning("Could not compute uncertainties -- only one "
304✔
575
              "active batch simulated!");
576

577
    if (settings::run_mode == RunMode::EIGENVALUE) {
152✔
578
      fmt::print(" k-effective (Collision)    = {:.5f}\n",
80✔
579
        gt(GlobalTally::K_COLLISION, TallyResult::SUM) / n);
40✔
580
      fmt::print(" k-effective (Track-length) = {:.5f}\n",
80✔
581
        gt(GlobalTally::K_TRACKLENGTH, TallyResult::SUM) / n);
40✔
582
      fmt::print(" k-effective (Absorption)   = {:.5f}\n",
80✔
583
        gt(GlobalTally::K_ABSORPTION, TallyResult::SUM) / n);
40✔
584
    }
585
    fmt::print(" Leakage Fraction           = {:.5f}\n",
304✔
586
      gt(GlobalTally::LEAKAGE, TallyResult::SUM) / n);
152✔
587
  }
588
  fmt::print("\n");
2,092✔
589
  std::fflush(stdout);
2,092✔
590
}
591

592
//==============================================================================
593

594
const std::unordered_map<int, const char*> score_names = {
595
  {SCORE_FLUX, "Flux"},
596
  {SCORE_TOTAL, "Total Reaction Rate"},
597
  {SCORE_SCATTER, "Scattering Rate"},
598
  {SCORE_NU_SCATTER, "Scattering Production Rate"},
599
  {SCORE_ABSORPTION, "Absorption Rate"},
600
  {SCORE_FISSION, "Fission Rate"},
601
  {SCORE_NU_FISSION, "Nu-Fission Rate"},
602
  {SCORE_KAPPA_FISSION, "Kappa-Fission Rate"},
603
  {SCORE_EVENTS, "Events"},
604
  {SCORE_DECAY_RATE, "Decay Rate"},
605
  {SCORE_DELAYED_NU_FISSION, "Delayed-Nu-Fission Rate"},
606
  {SCORE_PROMPT_NU_FISSION, "Prompt-Nu-Fission Rate"},
607
  {SCORE_INVERSE_VELOCITY, "Flux-Weighted Inverse Velocity"},
608
  {SCORE_FISS_Q_PROMPT, "Prompt fission power"},
609
  {SCORE_FISS_Q_RECOV, "Recoverable fission power"},
610
  {SCORE_CURRENT, "Current"},
611
  {SCORE_PULSE_HEIGHT, "pulse-height"},
612
  {SCORE_IFP_TIME_NUM, "IFP lifetime numerator"},
613
  {SCORE_IFP_BETA_NUM, "IFP delayed fraction numerator"},
614
  {SCORE_IFP_DENOM, "IFP common denominator"},
615
};
616

617
//! Create an ASCII output file showing all tally results.
618

619
void write_tallies()
2,348✔
620
{
621
  if (model::tallies.empty())
2,348✔
622
    return;
760✔
623

624
  // Tag tallies.out written during the forward solve of an adjoint run
625
  const char* forward =
3,176✔
626
    (FlatSourceDomain::solve_ == RandomRaySolve::FORWARD_FOR_ADJOINT)
1,588✔
627
      ? "forward."
1,588✔
628
      : "";
629

630
  // Set filename for tallies_out
631
  std::string filename =
1,588✔
632
    fmt::format("{}tallies.{}out", settings::path_output, forward);
1,588✔
633

634
  // Open the tallies.out file.
635
  std::ofstream tallies_out;
1,588✔
636
  tallies_out.open(filename, std::ios::out | std::ios::trunc);
1,588✔
637

638
  // Loop over each tally.
639
  for (auto i_tally = 0; i_tally < model::tallies.size(); ++i_tally) {
8,900✔
640
    const auto& tally {*model::tallies[i_tally]};
7,312✔
641

642
    // Write header block.
643
    std::string tally_header("TALLY " + std::to_string(tally.id_));
7,312✔
644
    if (!tally.name_.empty())
7,312✔
645
      tally_header += ": " + tally.name_;
1,728✔
646
    fmt::print(tallies_out, "{}\n\n", header(tally_header));
7,312✔
647

648
    if (!tally.writable_) {
7,312✔
649
      fmt::print(tallies_out, " Internal\n\n");
216✔
650
      continue;
216✔
651
    }
652

653
    // Calculate t-value for confidence intervals
654
    double t_value = 1;
7,096✔
655
    if (settings::confidence_intervals) {
7,096✔
656
      auto alpha = 1 - CONFIDENCE_LEVEL;
4✔
657
      t_value = t_percentile(1 - alpha * 0.5, tally.n_realizations_ - 1);
4✔
658
    }
659

660
    // Write derivative information.
661
    if (tally.deriv_ != C_NONE) {
7,096✔
662
      const auto& deriv {model::tally_derivs[tally.deriv_]};
80!
663
      switch (deriv.variable) {
80!
664
      case DerivativeVariable::DENSITY:
32✔
665
        fmt::print(tallies_out, " Density derivative Material {}\n",
64✔
666
          deriv.diff_material);
32✔
667
        break;
32✔
668
      case DerivativeVariable::NUCLIDE_DENSITY:
32✔
669
        fmt::print(tallies_out,
64✔
670
          " Nuclide density derivative Material {} Nuclide {}\n",
671
          deriv.diff_material, data::nuclides[deriv.diff_nuclide]->name_);
32✔
672
        break;
32✔
673
      case DerivativeVariable::TEMPERATURE:
16✔
674
        fmt::print(tallies_out, " Temperature derivative Material {}\n",
32✔
675
          deriv.diff_material);
16✔
676
        break;
16✔
677
      default:
×
678
        fatal_error(fmt::format("Differential tally dependent variable for "
×
679
                                "tally {} not defined in output.cpp",
680
          tally.id_));
×
681
      }
682
    }
683

684
    // Initialize Filter Matches Object
685
    vector<FilterMatch> filter_matches;
14,192✔
686
    // Allocate space for tally filter matches
687
    filter_matches.resize(model::tally_filters.size());
7,096✔
688

689
    // Loop over all filter bin combinations.
690
    auto filter_iter = FilterBinIter(tally, false, &filter_matches);
7,096✔
691
    auto end = FilterBinIter(tally, true, &filter_matches);
7,096✔
692
    for (; filter_iter != end; ++filter_iter) {
3,436,508✔
693
      auto filter_index = filter_iter.index_;
694

695
      // Print info about this combination of filter bins.  The stride check
696
      // prevents redundant output.
697
      int indent = 0;
698
      for (auto i = 0; i < tally.filters().size(); ++i) {
10,965,276✔
699
        if (filter_index % tally.strides(i) == 0) {
7,535,864✔
700
          auto i_filt = tally.filters(i);
5,220,780✔
701
          const auto& filt {*model::tally_filters[i_filt]};
5,220,780✔
702
          auto& match {filter_matches[i_filt]};
5,220,780✔
703
          fmt::print(tallies_out, "{0:{1}}{2}\n", "", indent + 1,
5,220,780✔
704
            filt.text_label(match.i_bin_));
10,441,560✔
705
        }
706
        indent += 2;
7,535,864✔
707
      }
708

709
      // Loop over all nuclide and score combinations.
710
      int score_index = 0;
3,429,412✔
711
      for (auto i_nuclide : tally.nuclides_) {
7,378,092✔
712
        // Write label for this nuclide bin.
713
        if (i_nuclide == -1) {
3,948,680✔
714
          fmt::print(tallies_out, "{0:{1}}Total Material\n", "", indent + 1);
2,917,172✔
715
        } else {
716
          if (settings::run_CE) {
1,031,508✔
717
            fmt::print(tallies_out, "{0:{1}}{2}\n", "", indent + 1,
1,031,372✔
718
              data::nuclides[i_nuclide]->name_);
1,031,372✔
719
          } else {
720
            fmt::print(tallies_out, "{0:{1}}{2}\n", "", indent + 1,
136✔
721
              data::mg.nuclides_[i_nuclide].name);
136✔
722
          }
723
        }
724

725
        // Write the score, mean, and uncertainty.
726
        indent += 2;
3,948,680✔
727
        for (auto score : tally.scores_) {
8,943,164✔
728
          std::string score_name =
4,994,484✔
729
            score > 0 ? reaction_name(score) : score_names.at(score);
4,994,484✔
730
          double mean, stdev;
4,994,484✔
731
          std::tie(mean, stdev) =
4,994,484✔
732
            mean_stdev(&tally.results_(filter_index, score_index, 0),
9,988,968✔
733
              tally.n_realizations_);
4,994,484✔
734
          fmt::print(tallies_out, "{0:{1}}{2:<36} {3:.6} +/- {4:.6}\n", "",
9,988,968✔
735
            indent + 1, score_name, mean, t_value * stdev);
4,994,484✔
736
          score_index += 1;
4,994,484✔
737
        }
4,994,484✔
738
        indent -= 2;
3,948,680✔
739
      }
740
    }
741
  }
7,312✔
742
}
1,588✔
743

744
} // namespace openmc
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