Merge branch 'master' into generic_container

#include "dca/function/domains.hpp"

#include "dca/function/function.hpp"

#include "dca/io/filesystem.hpp"

#include "dca/io/reader.hpp"

#include "dca/phys/domains/cluster/cluster_domain.hpp"

#include "dca/phys/domains/quantum/dca_iteration_domain.hpp"

#include "dca/phys/domains/quantum/electron_band_domain.hpp"

  INCLUDE_DIRS ${DCA_INCLUDE_DIRS}

  LIBS ${DCA_LIBS})

dca_add_gtest(ctint_sp_DCA_mpi_thread_test

  MPI MPI_NUMPROC 2

  EXTENSIVE

  INCLUDE_DIRS ${DCA_INCLUDE_DIRS}

  LIBS ${DCA_LIBS})

configure_file(${CMAKE_CURRENT_SOURCE_DIR}/initial_sigma.hdf5

               ${CMAKE_CURRENT_BINARY_DIR}/initial_sigma.hdf5 COPYONLY)

// Copyright (C) 2018 ETH Zurich

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

// All rights reserved.

//

// See LICENSE.txt for terms of usage.

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

//

// Author: Giovanni Balduzzi (gbalduzz@itp.phys.ethz.ch)

//

// No-change test for a full DCA loop with a threaded ct-int solver.

#include <iostream>

#include <string>

#include "gtest/gtest.h"

#include "dca/function/function.hpp"

#include "dca/function/util/difference.hpp"

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

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

#include "dca/math/random/std_random_wrapper.hpp"

#include "dca/parallel/stdthread/stdthread.hpp"

#include "dca/phys/dca_loop/dca_loop.hpp"

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

#include "dca/phys/dca_data/dca_data.hpp"

#include "dca/phys/dca_step/cluster_solver/stdthread_qmci/stdthread_qmci_cluster_solver.hpp"

#include "dca/phys/domains/cluster/symmetries/point_groups/2d/2d_square.hpp"

#include "dca/phys/models/analytic_hamiltonians/square_lattice.hpp"

#include "dca/phys/models/tight_binding_model.hpp"

#include "dca/phys/parameters/parameters.hpp"

#include "dca/profiling/null_profiler.hpp"

#include "dca/testing/dca_mpi_test_environment.hpp"

#include "dca/testing/minimalist_printer.hpp"

#include "dca/util/git_version.hpp"

#include "dca/util/modules.hpp"

constexpr bool update_baseline = false;

dca::testing::DcaMpiTestEnvironment* dca_test_env;

TEST(dca_sp_DCAplus_mpi, Self_energy) {

  using RngType = dca::math::random::StdRandomWrapper<std::ranlux48_base>;

  using DcaPointGroupType = dca::phys::domains::D4;

  using LatticeType = dca::phys::models::square_lattice<DcaPointGroupType>;

  using ModelType = dca::phys::models::TightBindingModel<LatticeType>;

  using Threading = dca::parallel::stdthread;

  using ParametersType =

      dca::phys::params::Parameters<dca::testing::DcaMpiTestEnvironment::ConcurrencyType, Threading,

                                    dca::profiling::NullProfiler, ModelType, RngType,

                                    dca::phys::solver::CT_INT>;

  using DcaDataType = dca::phys::DcaData<ParametersType>;

  using ClusterSolverType = dca::phys::solver::StdThreadQmciClusterSolver<

      dca::phys::solver::CtintClusterSolver<dca::linalg::CPU, ParametersType>>;

  using DcaLoopType = dca::phys::DcaLoop<ParametersType, DcaDataType, ClusterSolverType>;

  auto& concurrency = dca_test_env->concurrency;

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

    std::cout << "\nDCA main starting.\n"

              << "MPI-world set up: " << concurrency.number_of_processors() << " processes.\n"

              << std::endl;

    dca::util::GitVersion::print();

    dca::util::Modules::print();

  }

  ParametersType parameters(dca::util::GitVersion::string(), concurrency);

  parameters.read_input_and_broadcast<dca::io::JSONReader>(dca_test_env->input_file_name);

  parameters.update_model();

  parameters.update_domains();

  DcaDataType dca_data(parameters);

  dca_data.initialize();

  DcaLoopType dca_loop(parameters, dca_data, concurrency);

  dca_loop.initialize();

  dca_loop.execute();

  dca_loop.finalize();

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

    const std::string baseline_name =

        DCA_SOURCE_DIR "/test/system-level/dca/baseline_ctint_sp_DCA_mpi_thread_test.hdf5";

    if (!update_baseline) {

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

      // Read self-energy from check_data file.

      decltype(dca_data.Sigma) Sigma_check(dca_data.Sigma.get_name());

      dca::io::HDF5Reader reader;

      reader.open_file(baseline_name);

      reader.open_group("functions");

      reader.execute(Sigma_check);

      reader.close_group();

      reader.close_file();

      // Compare the computed self-energy with the expected result.

      const auto err = dca::func::util::difference(Sigma_check, dca_data.Sigma);

      EXPECT_LE(err.l_inf, 1e-10);

    }

    else {

      //  Write results

      dca::io::HDF5Writer writer;

      writer.open_file(baseline_name);

      writer.open_group("functions");

      writer.execute(dca_data.Sigma);

      writer.close_group();

      writer.close_file();

    }

  }

  if (concurrency.id() == concurrency.last()) {

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

    dca_loop.write();

    std::cout << "\nDCA main ending.\n" << std::endl;

  }

}

int main(int argc, char** argv) {

  int result = 0;

  ::testing::InitGoogleTest(&argc, argv);

  dca::parallel::MPIConcurrency concurrency(argc, argv);

  dca_test_env = new dca::testing::DcaMpiTestEnvironment(

      concurrency, DCA_SOURCE_DIR "/test/system-level/dca/input.ctint_sp_DCA_mpi_thread_test.json");

  ::testing::AddGlobalTestEnvironment(dca_test_env);

  ::testing::TestEventListeners& listeners = ::testing::UnitTest::GetInstance()->listeners();

  if (dca_test_env->concurrency.id() != 0) {

    delete listeners.Release(listeners.default_result_printer());

    listeners.Append(new dca::testing::MinimalistPrinter);

  }

  result = RUN_ALL_TESTS();

  return result;

}

{

  "output": {

    "directory": "./",

    "output-format": "HDF5",

    "filename-dca": "output.ctint_sp_DCA+_mpi_pthread_test.hdf5"

  },

  "physics": {

    "beta": 1.,

    "density": 0.9,

    "chemical-potential": 0.,

    "adjust-chemical-potential": true

  },

  "single-band-Hubbard-model": {

    "t": 1.,

    "U": 4.

  },

  "DCA": {

    "initial-self-energy": "zero",

    "iterations": 3,

    "self-energy-mixing-factor": 0.75,

    "interacting-orbitals": [0],

    "coarse-graining": {

      "k-mesh-recursion": 3,

      "periods": 2,

      "quadrature-rule": 1,

      "threads": 4

    },

    "DCA+": {

      "do-DCA+": false

    }

  },

  "domains": {

    "real-space-grids": {

      "cluster": [[2, 0],

        [0, 2]],

      "sp-host": [[8, 8],

        [8,-8]]

    },

    "imaginary-time": {

      "sp-time-intervals": 256

    },

    "imaginary-frequency": {

      "sp-fermionic-frequencies": 256

    }

  },

  "Monte-Carlo-integration": {

    "seed": 42,

    "warm-up-sweeps": 200,

    "sweeps-per-measurement": 1,

    "measurements": 2000,

    "store-configuration" : true,

    "error-computation-type" : "JACK_KNIFE",

    "threaded-solver": {

      "walkers": 1,

      "accumulators": 3,

      "shared-walk-and-accumulation-thread": false

    }

  },

  "CT-INT" :

  {

    "initial-configuration-size" : 10,

    "alpha-dd-pos" : 0.501,

    "max-submatrix-size" : 4

  }

}