Commit 33f0e5fd authored by Yakubov, Sergey's avatar Yakubov, Sergey
Browse files

Merge branch '4-update-dca-source' into 's_of_q_omega_demo' 

Resolve "Update DCA source"

Closes #4

See merge request ndip/tool-sources/dca/dca-main!4
parents 6dc40f54 537878cb

.gitignore

+5 −0
Original line number Diff line number Diff line
@@ -4,6 +4,8 @@ 
# Build directories (exclude build-aux)

build*

!build-aux

cmake-build*





# Bin directories

bin*
@@ -16,3 +18,6 @@ bin* 
*#

*.swp

.idea





.nfs*
 
 No newline at end of file

CMakeLists.txt

+2 −2
Original line number Diff line number Diff line
@@ -4,10 +4,10 @@ 
#

# CMake build script for DCA++



cmake_minimum_required(VERSION 3.21)

cmake_minimum_required(VERSION 3.20)

project(DCA++ LANGUAGES C CXX)



cmake_policy(VERSION 3.21)

cmake_policy(VERSION 3.20)



################################################################################

# Always use <PackageName>_ROOT vars to search first

applications/analysis/chi_q_omega.cpp

+41 −50
Original line number Diff line number Diff line
@@ -71,26 +71,19 @@ int main(int argc, char** argv) { 
  DcaDataType dca_data(parameters);

  dca_data.initialize();



#ifdef DCA_HAVE_ADIOS2

  adios2::ADIOS adios;



  if (dca::io::stringToIOType(parameters.get_output_format()) == dca::io::IOType::ADIOS2) {

  int rank = concurrency.id();

  std::cout << "\nProcessor " << concurrency.id() << " is writing data." << std::endl;

    dca::io::Writer writer(adios, concurrency, parameters.get_output_format(), true);

  dca::io::Writer writer(concurrency, "HDF5", true);

  std::string filename_bse(parameters.get_directory() + parameters.getAppropriateFilenameAnalysis());

  writer.open_file(filename_bse);



  std::string filename(parameters.get_directory() + parameters.get_filename_dca());

    dca::io::Reader reader(concurrency, parameters.get_output_format());

  dca::io::Reader reader(concurrency, "HDF5");

  reader.open_file(filename);

    auto& adios2_reader = std::get<dca::io::ADIOS2Reader<Concurrency>>(reader.getUnderlying());

    std::size_t step_count = adios2_reader.getStepCount();



  int ranks = concurrency.get_size();



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

  int current_step = 0;



  while (true) {

    if (current_step >= step_count - 1)

      break;
@@ -100,12 +93,12 @@ int main(int argc, char** argv) { 
      // cut off the last weird step dca is saving

      if (current_step >= step_count - 1)

        goto end_steps;

        adios2_reader.begin_step();

      reader.begin_step();

      if (rank == ir) {

        dca_data.read(reader);

        got_step_num = current_step;

      }

        adios2_reader.end_step();

      reader.end_step();

      ++current_step;

    }

    if (got_step_num >= 0) {
@@ -125,8 +118,6 @@ int main(int argc, char** argv) { 
    parameters.write(writer);

  writer.end_step();

  writer.close_file();

  }

#endif

  std::cout << "\nFinish time: " << dca::util::print_time() << "\n" << std::endl;

  return 0;

}

cmake/GNUCompilers.cmake

+1 −1
Original line number Diff line number Diff line
@@ -17,7 +17,7 @@ 
#



# Check compiler version

if(CMAKE_CXX_COMPILER_VERSION VERSION_LESS 9.0)

if(CMAKE_CXX_COMPILER_VERSION VERSION_LESS 8.0)

  message(FATAL_ERROR "Requires gcc 9.0 or higher ")

endif()

dockerfiles/Dockerfile.cpu

+4 −4
Original line number Diff line number Diff line
@@ -28,10 +28,10 @@ RUN apt-get update \ 
      git \

  && apt-get clean



RUN wget https://github.com/Kitware/CMake/releases/download/v3.20.0/cmake-3.20.0.tar.gz \

 && tar -zxvf cmake-3.20.0.tar.gz \

 && cd cmake-3.20.0 \

 && ./bootstrap -- -DCMAKE_USE_OPENSSL=OFF && make && make install && cd .. && rm -rf cmake-3.20.0

RUN wget https://github.com/Kitware/CMake/releases/download/v3.21.0/cmake-3.21.0.tar.gz \

 && tar -zxvf cmake-3.21.0.tar.gz \

 && cd cmake-3.21.0 \

 && ./bootstrap -- -DCMAKE_USE_OPENSSL=OFF && make && make install && cd .. && rm -rf cmake-3.21.0



ENV ADIOS2_DIR=/opt/adios2

RUN mkdir -p $ADIOS2_DIR