Commit 2dd72020 authored by Doak, Peter W.'s avatar Doak, Peter W.
Browse files

cross port from Moire_Hubbard_merge

parent f6572193

include/dca/io/hdf5/hdf5_reader.hpp

+13 −6
Original line number Diff line number Diff line 
// Copyright (C) 2018 ETH Zurich

// Copyright (C) 2018 UT-Battelle, LLC

// Copyright (C) 2023 ETH Zurich

// Copyright (C) 2023 UT-Battelle, LLC

// All rights reserved.

//

// See LICENSE for terms of usage.

// See CITATION.md for citation guidelines, if DCA++ is used for scientific publications.

//

// Author: Peter Staar (taa@zurich.ibm.com)

//         Peter W. Doak (doakpw@ornl.gov)

//

// HDF5 reader.
@@ -18,6 +19,9 @@ 


#include "H5Cpp.h"



#include "dca/config/haves_defines.hpp"

#include "dca/platform/dca_gpu.h"



#include "dca/io/buffer.hpp"

#include "dca/function/domains.hpp"

#include "dca/function/function.hpp"
@@ -62,7 +66,7 @@ public: 
  void begin_step();

  void end_step();



  std::string get_path();

  std::string get_path() const;



  std::size_t getStepCount();
@@ -113,6 +117,7 @@ public: 
  }



private:

  bool buildCheckedFullName(const std::string& name, std::string& full_name) const;

  bool exists(const std::string& name) const;



  void read(const std::string& name, H5::DataType type, void* data) const;
@@ -123,6 +128,9 @@ private: 


  bool verbose_;



  /// work around for Legacy hdf5

  bool is_legacy_ = false;



  int step_ = 0;

  bool in_step_ = false;

};
@@ -138,9 +146,8 @@ void HDF5Reader::from_file(arbitrary_struct_t& arbitrary_struct, std::string fil 


template <typename Scalar>

bool HDF5Reader::execute(const std::string& name, Scalar& value) {

  std::string full_name = get_path() + "/" + name;



  if (!exists(full_name)) {

  std::string full_name;

  if (!buildCheckedFullName(name, full_name)) {

    return false;

  }

include/dca/io/hdf5/hdf5_writer.hpp

+1 −0
Original line number Diff line number Diff line
@@ -22,6 +22,7 @@ 


#include <H5Cpp.h>



#include "dca/platform/dca_gpu.h"

#include "dca/function/domains.hpp"

#include "dca/io/buffer.hpp"

#include "dca/function/function.hpp"

include/dca/io/reader.hpp

+3 −0
Original line number Diff line number Diff line
@@ -17,6 +17,9 @@ 
#include <string>

#include <variant>



#include "dca/config/haves_defines.hpp"

#include "dca/platform/dca_gpu.h"



#include "dca/io/io_types.hpp"

#include "dca/io/hdf5/hdf5_reader.hpp"

#include "dca/io/json/json_reader.hpp"

include/dca/io/writer.hpp

+6 −0
Original line number Diff line number Diff line
@@ -89,6 +89,10 @@ public: 
  }

#endif



  bool isHDF5() {

    return std::holds_alternative<io::HDF5Writer>(writer_);

  }

  

  bool isOpen() { return is_open_; }

  

  void begin_step() {
@@ -172,6 +176,8 @@ public: 
    std::visit([&](auto& var) { var.set_verbose(verbose); }, writer_);

  }



  Concurrency& get_concurrency() { return concurrency_; }

  

  dca::parallel::thread_traits::mutex_type& get_mutex() { return mutex_; }

private:

  dca::parallel::thread_traits::mutex_type mutex_;

include/dca/phys/dca_data/dca_data.hpp

+29 −8
Original line number Diff line number Diff line
@@ -615,25 +615,45 @@ void DcaData<Parameters, DT>::initializeSigma(adios2::ADIOS& adios [[maybe_unuse 
      reader.end_step();

    }

    readSigmaFile(reader);

    reader.close_file();

  }

  concurrency_.broadcast(parameters_.get_chemical_potential());

  concurrency_.broadcast(Sigma);

}

#endif



// Strong assumption here that this only gets called for HDF5 input.

template <class Parameters, DistType DT>

void DcaData<Parameters, DT>::initializeSigma(const std::string& filename) {

  if (concurrency_.id() == concurrency_.first()) {

    std::cout << "reading Sigma File\n";

    io::IOType sigma_file_io = io::extensionToIOType(filename);

    io::Reader reader(concurrency_, sigma_file_io);

    int hdf5_last_iteration = -1;

    reader.open_file(filename);

    std::size_t step_count = reader.getStepCount();

    // Work around odd way hdf5 steps get written

    int completed_iteration = 0;

  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)) {

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

	hdf5_last_iteration = completed_iteration;

	reader.close_file();

	reader.open_file(filename);

	step_count = hdf5_last_iteration;

	goto find_step;	

      }

      reader.end_step();

    }

    reader.begin_step();

    readSigmaFile(reader);

    reader.close_file();

  }

  concurrency_.broadcast(parameters_.get_chemical_potential());

  concurrency_.broadcast(Sigma);
@@ -648,7 +668,8 @@ void DcaData<Parameters, DT>::readSigmaFile(io::Reader<Concurrency>& reader) { 
  bool has_iteration = reader.execute("completed-iteration", completed_iteration);

  

  if (chemical_potential_present && has_iteration) {

    std::cout << "chemical-potential from Sigma file: " << chemical_potentials[completed_iteration] << '\n';

    std::cout << "chemical-potential from Sigma file: " << chemical_potentials[completed_iteration]

              << '\n';

    parameters_.get_chemical_potential() = chemical_potentials[completed_iteration];

  }

  else {