Write configuration stamps to the same output file. (rank 0 only). (a892b0d4) · Commits · NDIP / Tool Sources / Direct-Geometry Spectroscopy / DCA / DCA Main

include/dca/io/hdf5/hdf5_writer.hpp

+52 −2

Original line number	Diff line number	Diff line
		@@ -15,6 +15,7 @@

		#include <complex>
		#include <memory>
		#include <mutex>
		#include <sstream>
		#include <string>
		#include <vector>
		@@ -76,8 +77,11 @@ public:

		void execute(const std::string& name, const std::vector<std::string>& value);

		template <typename scalar_type>
		void execute(const std::string& name, const std::vector<std::vector<scalar_type>>& value);
		template <typename Scalar, std::size_t n>
		void execute(const std::string& name, const std::vector<std::array<Scalar, n>>& value);

		template <typename Scalar>
		void execute(const std::string& name, const std::vector<std::vector<Scalar>>& value);

		template <typename domain_type>
		void execute(const std::string& name, const func::dmn_0<domain_type>& dmn);
		@@ -126,6 +130,18 @@ public:

		bool pathExists(const std::string& path) const;

		operator bool() const {
		return static_cast<bool>(file_);
		}

		void lock() {
		mutex_.lock();
		}

		void unlock() {
		mutex_.unlock();
		}

		private:
		bool fexists(const char* filename);

		@@ -137,6 +153,8 @@ private:
		std::vector<std::string> my_paths;

		bool verbose_;

		std::mutex mutex_;
		};

		template <typename arbitrary_struct_t>
		@@ -350,6 +368,38 @@ void HDF5Writer::execute(const std::string& name, const std::vector<std::vector<
		}
		}

		template <typename Scalar, std::size_t n>
		void HDF5Writer::execute(const std::string& name, const std::vector<std::array<Scalar, n>>& value) {
		if (value.size() == 0)
		return;

		std::array<hsize_t, 2> dims{value.size(), n};

		H5::DataSet* dataset = nullptr;
		H5::DataSpace* dataspace = nullptr;

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

		dataspace = new H5::DataSpace(2, dims.data());

		dataset = new H5::DataSet(
		file_->createDataSet(full_name.c_str(), HDF5_TYPE<Scalar>::get_PredType(), *dataspace));

		Scalar* tmp = new Scalar[dims[0] * dims[1]];

		// hdf5 has row-major ordering!
		// for (hsize_t i = 0; i < dims[0]; i++)
		// for (hsize_t j = 0; j < dims[1]; j++)
		// tmp[i * dims[1] + j] = value[i][j];

		H5Dwrite(dataset->getId(), HDF5_TYPE<Scalar>::get(), dataspace->getId(), H5S_ALL, H5P_DEFAULT,
		value[0].data());

		delete[] tmp;
		delete dataset;
		delete dataspace;
		}

		template <typename domain_type>
		void HDF5Writer::execute(const std::string& name, const func::dmn_0<domain_type>& dmn) {
		open_group(name);

include/dca/parallel/mpi_concurrency/mpi_type_map.hpp

+7 −0

Original line number	Diff line number	Diff line
		@@ -61,6 +61,13 @@ struct MPITypeMap<int> {
		}
		};

		template <>
		struct MPITypeMap<unsigned int> {
		static MPI_Datatype value() {
		return MPI_UNSIGNED;
		}
		};

		template <>
		struct MPITypeMap<std::size_t> {
		static MPI_Datatype value() {

include/dca/phys/dca_loop/dca_loop.hpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -132,7 +132,7 @@ DcaLoop<ParametersType, DcaDataType, MCIntegratorType>::DcaLoop(ParametersType&

		update_chemical_potential_obj(parameters, MOMS, cluster_mapping_obj),

		monte_carlo_integrator_(parameters_ref, MOMS_ref) {
		monte_carlo_integrator_(parameters_ref, MOMS_ref, &output_file_) {
		if (concurrency.id() == concurrency.first()) {
		file_name_ = parameters.get_directory() + parameters.get_filename_dca();
		output_file_.open_file(file_name_);

include/dca/phys/dca_step/cluster_solver/ctaux/ctaux_cluster_solver.hpp

+4 −2

Original line number	Diff line number	Diff line
		@@ -84,7 +84,8 @@ private:
		using NuNuRClusterWDmn = func::dmn_variadic<nu, nu, RClusterDmn, w>;

		public:
		CtauxClusterSolver(Parameters& parameters_ref, Data& MOMS_ref);
		CtauxClusterSolver(Parameters& parameters_ref, Data& MOMS_ref,
		io::HDF5Writer* /writer/ = nullptr);

		template <typename Writer>
		void write(Writer& writer);
		@@ -166,7 +167,8 @@ private:

		template <dca::linalg::DeviceType device_t, class Parameters, class Data>
		CtauxClusterSolver<device_t, Parameters, Data>::CtauxClusterSolver(Parameters& parameters_ref,
		Data& data_ref)
		Data& data_ref,
		io::HDF5Writer* /writer/)
		: parameters_(parameters_ref),
		data_(data_ref),
		concurrency_(parameters_.get_concurrency()),

include/dca/phys/dca_step/cluster_solver/ctaux/ctaux_walker.hpp

+2 −14

Original line number	Diff line number	Diff line
		@@ -187,6 +187,8 @@ private:
		bool assert_exp_delta_V_value(HS_field_sign HS_field, int random_vertex_ind,
		HS_spin_states_type new_HS_spin_value, Real exp_delta_V);



		private:
		using WalkerBIT<Parameters, Data, Real>::check_G0_matrices;
		using WalkerBIT<Parameters, Data, Real>::check_N_matrices;
		@@ -305,9 +307,6 @@ private:
		std::array<linalg::util::CudaEvent, 2> m_computed_events_;

		bool config_initialized_;

		std::size_t meas_id_ = 0;
		io::HDF5Writer config_file_;
		};

		template <dca::linalg::DeviceType device_t, class Parameters, class Data, typename Real>
		@@ -364,10 +363,6 @@ CtauxWalker<device_t, Parameters, Data, Real>::CtauxWalker(Parameters& parameter
		num_delayed_spins_(),

		config_initialized_(false) {
		if (parameters.stamping_period()) {
		config_file_.open_file(parameters.get_configuration_stamps());
		}

		if (concurrency.id() == 0 and thread_id == 0) {
		std::cout << "\n\n"
		<< "\t\t"
		@@ -517,13 +512,6 @@ void CtauxWalker<device_t, Parameters, Data, Real>::doSweep() {

		if (!thermalized)
		++warm_up_sweeps_done_;

		++meas_id_;
		if (parameters.stamping_period()) {
		if ((meas_id_ % parameters.stamping_period()) == 0) {
		configuration.write(config_file_, std::to_string(meas_id_));
		}
		}
		}

		template <dca::linalg::DeviceType device_t, class Parameters, class Data, typename Real>