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https://github.com/openmc-dev/openmc.git
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Move check_triggers to C++
This commit is contained in:
Sterling Harper
parent
b66a4d28b9
commit
5b8806c839
3 changed files with 76 additions and 105 deletions
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@ -16,6 +16,7 @@
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#include "openmc/timer.h"
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#include "openmc/tallies/filter.h"
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#include "openmc/tallies/tally.h"
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#include "openmc/tallies/trigger.h"
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#include <omp.h>
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@ -27,7 +28,6 @@ namespace openmc {
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// data/functions from Fortran side
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extern "C" void accumulate_tallies();
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extern "C" void allocate_tally_results();
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extern "C" void check_triggers();
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extern "C" void init_tally_routines();
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extern "C" void load_state_point();
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extern "C" void print_batch_keff();
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@ -2,106 +2,13 @@ module trigger
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use, intrinsic :: ISO_C_BINDING
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use constants
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use eigenvalue, only: openmc_get_keff
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use endf, only: reaction_name
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use error, only: warning, write_message
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use string, only: to_str
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use message_passing, only: master
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use settings
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use simulation_header
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use trigger_header
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use tally, only: TallyObject
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use tally_header, only: tallies, n_tallies
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use tally_header, only: tallies
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implicit none
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interface
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function check_keff_trigger() bind(C) result(ratio)
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import C_DOUBLE
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real(C_DOUBLE) :: ratio
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end function
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subroutine check_tally_triggers(ratio, tally_id, score) bind(C)
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import C_DOUBLE, C_INT
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real(C_DOUBLE) :: ratio
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integer(C_INT) :: tally_id
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integer(C_INT) :: score
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end subroutine
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end interface
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contains
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!===============================================================================
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! CHECK_TRIGGERS checks any user-specified precision triggers' for convergence
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! and predicts the number of remainining batches to convergence.
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!===============================================================================
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subroutine check_triggers() bind(C)
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implicit none
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real(8) :: keff_ratio ! uncertainty/threshold ratio for keff
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real(8) :: tally_ratio ! max tally uncertainty/threshold ratio
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integer :: tally_id ! id for tally with max ratio
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integer :: score ! tally score with max ratio
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integer :: n_pred_batches ! predicted # batches to satisfy all triggers
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if (.not. master) return
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! Checks if current_batch is one for which the triggers must be checked
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if (current_batch < n_batches .or. (.not. trigger_on)) return
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if (mod((current_batch - n_batches), n_batch_interval) /= 0 .and. &
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current_batch /= n_max_batches) return
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! Check the eigenvalue and tally triggers
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keff_ratio = check_keff_trigger()
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call check_tally_triggers(tally_ratio, tally_id, score)
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if (max(keff_ratio, tally_ratio) <= ONE) then
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satisfy_triggers = .true.
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else
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satisfy_triggers = .false.
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end if
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! Alert the user if the triggers are satisfied
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if (satisfy_triggers) then
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call write_message("Triggers satisfied for batch " // &
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trim(to_str(current_batch)), 7)
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return
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end if
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! Specify which trigger is unsatisfied
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if (keff_ratio >= tally_ratio) then
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call write_message("Triggers unsatisfied, max unc./thresh. is " // &
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trim(to_str(keff_ratio)) // " for eigenvalue", 7)
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else
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call write_message("Triggers unsatisfied, max unc./thresh. is " // &
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trim(to_str(tally_ratio)) // " for " // trim(reaction_name(score)) &
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// " in tally " // trim(to_str(tally_id)), 7)
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end if
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! Estimate batches till triggers are satisfied
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if (pred_batches) then
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! Estimate the number of remaining batches to convergence
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! The prediction uses the fact that tally variances are proportional
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! to 1/N where N is the number of the batches/particles
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n_batch_interval = int((current_batch-n_inactive) * &
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(max(keff_ratio, tally_ratio) ** 2)) + n_inactive-n_batches + 1
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n_pred_batches = n_batch_interval + n_batches
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! Write the predicted number of batches for the user
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if (n_pred_batches > n_max_batches) then
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call warning("The estimated number of batches is " // &
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trim(to_str(n_pred_batches)) // &
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" -- greater than max batches. ")
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else
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call write_message("The estimated number of batches is " // &
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trim(to_str(n_pred_batches)), 7)
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end if
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end if
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end subroutine check_triggers
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function n_tally_triggers(i_tally) bind(C) result(n)
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integer(C_INT), value :: i_tally
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integer(C_INT) :: n
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@ -1,12 +1,15 @@
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#include "openmc/tallies/trigger.h"
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#include <cmath>
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#include <sstream>
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#include <utility> // for std::pair
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#include "openmc/capi.h"
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#include "openmc/constants.h"
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#include "openmc/message_passing.h"
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#include "openmc/error.h"
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#include "openmc/reaction.h"
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#include "openmc/settings.h"
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#include "openmc/simulation.h"
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#include "openmc/tallies/tally.h"
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namespace openmc {
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@ -40,10 +43,10 @@ extern "C" Trigger* get_tally_trigger(int i_tally, int i_trig);
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//! param[out] tally_id The ID number of the most limiting tally
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//! param[out] score The most limiting tally score bin
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extern "C" void
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check_tally_triggers(double* ratio, int* tally_id, int* score)
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void
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check_tally_triggers(double& ratio, int& tally_id, int& score)
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{
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*ratio = 0.;
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ratio = 0.;
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//TODO: off-by-one
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for (auto i_tally = 1; i_tally < model::tallies.size()+1; ++i_tally) {
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const Tally& t {*model::tallies[i_tally-1]};
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@ -94,17 +97,17 @@ check_tally_triggers(double* ratio, int* tally_id, int* score)
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double this_ratio = uncertainty / trigger.threshold;
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if (trigger.type == VARIANCE) {
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this_ratio = std::sqrt(*ratio);
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this_ratio = std::sqrt(ratio);
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}
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if (this_ratio > *ratio) {
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*ratio = this_ratio;
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if (this_ratio > ratio) {
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ratio = this_ratio;
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int* scores;
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int junk;
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err = openmc_tally_get_scores(i_tally, &scores, &junk);
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//TODO: off-by-one
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*score = scores[trigger.score_index-1];
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err = openmc_tally_get_id(i_tally, tally_id);
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score = scores[trigger.score_index-1];
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err = openmc_tally_get_id(i_tally, &tally_id);
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}
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}
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}
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@ -114,7 +117,7 @@ check_tally_triggers(double* ratio, int* tally_id, int* score)
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//! Computes the uncertainty/threshold ratio for the eigenvalue trigger.
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extern "C" double
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double
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check_keff_trigger()
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{
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if (settings::run_mode != RUN_MODE_EIGENVALUE) return 0.;
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@ -141,4 +144,65 @@ check_keff_trigger()
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return ratio;
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}
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//! See if tally and eigenvalue uncertainties are under trigger thresholds.
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void
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check_triggers()
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{
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// Make some aliases.
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const auto current_batch {simulation::current_batch};
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const auto n_batches {settings::n_batches};
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const auto interval {settings::trigger_batch_interval};
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// See if the current batch is one for which the triggers must be checked.
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if (!settings::trigger_on) return;
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if (current_batch < n_batches) return;
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if (((current_batch - n_batches) % interval) != 0) return;
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// Check the eigenvalue and tally triggers.
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double keff_ratio = check_keff_trigger();
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double tally_ratio;
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int tally_id, score;
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check_tally_triggers(tally_ratio, tally_id, score);
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// If all the triggers are satisfied, alert the user and return.
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if (std::max(keff_ratio, tally_ratio) <= 1.) {
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simulation::satisfy_triggers = true;
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write_message("Triggers satisfied for batch "
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+ std::to_string(current_batch), 7);
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return;
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}
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// At least one trigger is unsatisfied. Let the user know which one.
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simulation::satisfy_triggers = false;
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std::stringstream msg;
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msg << "Triggers unsatisfied, max unc./thresh. is ";
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if (keff_ratio >= tally_ratio) {
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msg << keff_ratio << " for eigenvalue";
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} else {
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msg << tally_ratio << " for " << reaction_name(score) << " in tally "
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<< tally_id;
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}
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write_message(msg, 7);
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// Estimate batches til triggers are satisfied.
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if (settings::trigger_predict) {
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// This calculation assumes tally variance is proportional to 1/N where N is
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// the number of batches.
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auto max_ratio = std::max(keff_ratio, tally_ratio);
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auto n_active = current_batch - settings::n_inactive;
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auto n_pred_batches = static_cast<int>(n_active * max_ratio * max_ratio)
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+ settings::n_inactive + 1;
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std::stringstream msg;
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msg << "The estimated number of batches is " << n_pred_batches;
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if (n_pred_batches > settings::n_max_batches) {
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msg << " --- greater than max batches";
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warning(msg);
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} else {
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write_message(msg, 7);
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}
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}
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}
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} // namespace openmc
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