Commit 055fa0bf authored by Doak, Peter W.'s avatar Doak, Peter W.
Browse files

fix for reading current hdf5

parent 2dcd1a26

include/dca/phys/dca_data/dca_data.hpp

+89 −87
Original line number Diff line number Diff line
@@ -649,30 +649,36 @@ void DcaData<Parameters, DT>::initializeSigma(const std::string& filename) { 
    long step_count = reader.getStepCount();

    // Work around odd way hdf5 steps get written

    int completed_iteration = 0;

    std::cout << step_count << " steps found.\n";

    if (step_count >= 0) {

      for (long i = 0; i < step_count; ++i) {

    find_step:

      for (std::size_t i = 0; i < step_count; ++i) {

        reader.begin_step();

        std::cerr << "current step " << i << '\n';

        bool has_iteration =

            reader.execute("DCA-loop-functions/completed-iteration", completed_iteration);

        std::cerr << "completed_iteration " << completed_iteration << '\n';

        if (has_iteration && (i >= completed_iteration)) {

        if (has_iteration && (i > completed_iteration)) {

          std::cerr << "past complete iterations " << completed_iteration << "at step " << i << '\n';

          hdf5_last_iteration = completed_iteration;

          hdf5_last_iteration = i;

          reader.close_file();

          reader.open_file(filename);

          step_count = hdf5_last_iteration;

          goto find_step;

        }

        if (i < step_count - 1)

          reader.end_step();

      }

      reader.begin_step();

      readSigmaFile(reader);

      reader.close_file();

      reader.end_step();

    }

    else {

      readSigmaFile(reader);

    }

  }

  concurrency_.broadcast(parameters_.get_chemical_potential());

  concurrency_.broadcast(Sigma);

}

}



template <class Parameters, DistType DT>

void DcaData<Parameters, DT>::readSigmaFile(io::Reader<Concurrency>& reader) {
@@ -768,14 +774,13 @@ void DcaData<Parameters, DT>::compute_Sigma_bands() { 
      }

      for (int k_ind = 0; k_ind < KCutDmn::dmn_size(); ++k_ind) {

        auto kcut_slice = kConvert(KCutDmn::get_elements()[k_ind]);

        auto k_vec = domains::cluster_operations::translate_inside_cluster(

            kcut_slice, ksuper_basis);

        auto k_vec = domains::cluster_operations::translate_inside_cluster(kcut_slice, ksuper_basis);



        for (int K_ind = 0; K_ind < KClusterDmn::dmn_size(); ++K_ind) {

          auto kdmn_slice = kConvert(KClusterDmn::get_elements()[K_ind]);

          length_and_distance[K_ind].second = K_ind;

          length_and_distance[K_ind].first = domains::cluster_operations::minimal_distance(

              k_vec, kdmn_slice, ksuper_basis);

          length_and_distance[K_ind].first =

              domains::cluster_operations::minimal_distance(k_vec, kdmn_slice, ksuper_basis);

        }

        std::sort(length_and_distance.begin(), length_and_distance.end());
@@ -862,11 +867,9 @@ void DcaData<Parameters, DT>::compute_Sigma_bands() { 
  if (concurrency_.id() == concurrency_.first() /*and parameters_.do_dca_plus()*/) {

    if (DIMENSION == 2) {

      std::cout << "\n\n";

        std::cout

            << "        K-vectors             || Re[Sigma_QMC]   Im[Sigma_QMC]   Re[Sigma_cg]  "

      std::cout << "        K-vectors             || Re[Sigma_QMC]   Im[Sigma_QMC]   Re[Sigma_cg]  "

                   "  Im[Sigma_cg] \n";

        std::cout

            << "-------------------------------------------------------------------------------"

      std::cout << "-------------------------------------------------------------------------------"

                   "---------------\n";

    }
@@ -874,8 +877,7 @@ void DcaData<Parameters, DT>::compute_Sigma_bands() { 
      std::cout << "\n\n";

      std::cout << "                K-vectors                       || Re[Sigma_QMC]   "

                   "Im[Sigma_QMC]   Re[Sigma_cg]    Im[Sigma_cg] \n";

        std::cout

            << "-------------------------------------------------------------------------------"

      std::cout << "-------------------------------------------------------------------------------"

                   "---------------------------------\n";

    }
@@ -891,6 +893,6 @@ void DcaData<Parameters, DT>::compute_Sigma_bands() { 
}



}  // namespace phys

}  // namespace phys

}  // namespace dca



#endif  // DCA_PHYS_DCA_DATA_DCA_DATA_HPP

src/io/hdf5/hdf5_reader.cpp

+2 −2
Original line number Diff line number Diff line
@@ -82,7 +82,7 @@ void HDF5Reader::begin_step() { 
  if (is_legacy_)

    return;

  if (in_step_)

    throw std::runtime_error("HDF5Writer::begin_step() called while already in step!");

    throw std::runtime_error("HDF5Reader::begin_step() called while already in step!");

  in_step_ = true;

  std::string step_group{"step_" + std::to_string(++step_ - 1)};

  paths_.push_back(step_group);
@@ -92,7 +92,7 @@ void HDF5Reader::end_step() { 
  if (is_legacy_)

    return;

  if (!in_step_)

    throw std::runtime_error("HDF5Writer::end_step() called while not in step!");

    throw std::runtime_error("HDF5Reader::end_step() called while not in step!");

  paths_.clear();

  in_step_ = false;

}