Commit 80fd4631 authored by gbalduzz's avatar gbalduzz
Browse files

Correctly store time and sign in hdf5 output.

parent 4010c824

cmake/dca_config.cmake

+5 −2
Original line number Diff line number Diff line
@@ -53,8 +53,8 @@ endif() 
# TODO: Add more point groups and lattices.



# Point group

set(DCA_POINT_GROUP "D4" CACHE STRING "Point group symmetry, options are: C6 | D4.")

set_property(CACHE DCA_POINT_GROUP PROPERTY STRINGS C6 D4)

set(DCA_POINT_GROUP "D4" CACHE STRING "Point group symmetry, options are: C6 | D4 | no_symmetry<2>.")

set_property(CACHE DCA_POINT_GROUP PROPERTY STRINGS C6 D4 no_symmetry<2>)



if (DCA_POINT_GROUP STREQUAL "C6")

  set(DCA_POINT_GROUP_INCLUDE
@@ -63,6 +63,9 @@ if (DCA_POINT_GROUP STREQUAL "C6") 
elseif (DCA_POINT_GROUP STREQUAL "D4")

  set(DCA_POINT_GROUP_INCLUDE "dca/phys/domains/cluster/symmetries/point_groups/2d/2d_square.hpp")



elseif (DCA_POINT_GROUP STREQUAL "no_symmetry<2>")

  set(DCA_POINT_GROUP_INCLUDE "dca/phys/domains/cluster/symmetries/point_groups/no_symmetry.hpp")



else()

  message(FATAL_ERROR "Please set DCA_POINT_GROUP to a valid option: C6 | D4.")

endif()

include/dca/phys/dca_step/cluster_solver/ctint/ctint_cluster_solver.hpp

+7 −7
Original line number Diff line number Diff line
@@ -61,7 +61,7 @@ public: 
  // gather the walker's measurements and average them across the processes.

  // Then it computes the final integration results.

  // Postcondition: DcaData contains Sigma, G_r_t, G_r_w, G_k_w, G_k_t

  void finalize();

  double finalize();



  // Calls finalize(). In addition:

  // Postcondition: dca_info_struct contains metadata on the integration.
@@ -204,7 +204,7 @@ void CtintClusterSolver<device_t, Parameters, use_submatrix>::integrate() { 
}



template <dca::linalg::DeviceType device_t, class Parameters, bool use_submatrix>

void CtintClusterSolver<device_t, Parameters, use_submatrix>::finalize() {

double CtintClusterSolver<device_t, Parameters, use_submatrix>::finalize() {

  bool compute_error = false;

  if (dca_iteration_ == parameters_.get_dca_iterations() - 1) {

    if (parameters_.get_error_computation_type() == ErrorComputationType::JACK_KNIFE) {
@@ -267,12 +267,14 @@ void CtintClusterSolver<device_t, Parameters, use_submatrix>::finalize() { 
              << "\n"

              << std::endl;

  }



  return avg_sign;

}



template <dca::linalg::DeviceType device_t, class Parameters, bool use_submatrix>

double CtintClusterSolver<device_t, Parameters, use_submatrix>::finalize(

    DcaLoopData<Parameters>& loop_data) {

  finalize();

  double avg_sign = finalize();

  // Compute and save into loop_data Sigma_zero_mom and std deviation

  for (int nu = 0; nu < Nu::dmn_size(); nu++) {

    for (int k = 0; k < Kdmn::dmn_size(); k++) {
@@ -291,12 +293,10 @@ double CtintClusterSolver<device_t, Parameters, use_submatrix>::finalize( 
  concurrency_.sum_and_average(loop_data.average_expansion_order(dca_iteration_) =

                                   accumulator_.avgOrder());



  loop_data.sign(dca_iteration_) =

      static_cast<double>(accumulator_.get_accumulated_sign()) / parameters_.get_measurements();

  concurrency_.sum_and_average(loop_data.sign(dca_iteration_));

  loop_data.sign(dca_iteration_) = avg_sign;

  loop_data.MC_integration_per_mpi_task(dca_iteration_) = total_time_;



  concurrency_.sum_and_average(loop_data.thermalization_per_mpi_task(dca_iteration_) = warm_up_time_);

  concurrency_.sum_and_average(loop_data.MC_integration_per_mpi_task(dca_iteration_) = total_time_);



  // Free walker memory for the dca loop.

  walker_.release();