fix hdf5 reading of initial-self-energy when adios2 is present (a05699bd) · Commits · NDIP / Tool Sources / Direct-Geometry Spectroscopy / DCA / DCA Main

include/dca/io/adios2/adios2_writer.hpp

+6 −3

Original line number	Diff line number	Diff line
		@@ -283,11 +283,14 @@ bool ADIOS2Writer<CT>::execute(const std::string& name,
		for (int i = 0; i < n; ++i) {
		sizes[i] = value[i].size();
		nTotal += sizes[i];
		if (verbose_) {
		std::cout << sizes[i];
		if (i < n - 1) {
		std::cout << ", ";
		}
		}
		}

		if (verbose_) {
		std::cout << ")\n";
		}

include/dca/io/io_types.hpp

+3 −5

Original line number	Diff line number	Diff line
		@@ -22,16 +22,14 @@ namespace io {
		* dummy at 0 debug automatic initialization of int to 0
		* causes a bug. That is not a good code smell.
		*/
		enum class IOType : int {
		JSON = 0,
		HDF5,
		ADIOS2
		};
		enum class IOType : int { JSON = 0, HDF5, ADIOS2, UNKNOWN };

		IOType stringToIOType(const std::string& name);

		std::string toString(const IOType type);

		IOType extensionToIOType(const std::string& file_name);

		} // namespace io
		} // namespace dca

include/dca/phys/dca_loop/dca_loop.hpp

+32 −29

Original line number	Diff line number	Diff line
		@@ -205,38 +205,41 @@ template <typename ParametersType, typename DDT, typename MCIntegratorType, Dist
		void DcaLoop<ParametersType, DDT, MCIntegratorType, DIST>::initialize() {
		static_assert(std::is_same<DDT, dca::phys::DcaData<ParametersType, DIST>>::value);
		int last_completed = -1;

		auto& autoresume_filename = parameters.get_autoresume_filename();
		io::IOType iotype = io::extensionToIOType(autoresume_filename);
		if (parameters.autoresume()) { // Try to read state of previous run.
		auto& dca_filename = parameters.get_filename_dca();
		std::size_t extension_start = dca_filename.rfind('.');
		std::string extension{dca_filename.substr(extension_start, dca_filename.size())};
		std::cout << extension << '\n';
		// This is not complete, how do we want to decide what format we are reading? Just from output format?
		// This is not complete we should work based on extension
		// do we want to decide what format we are reading? Just from output format?
		#ifdef DCA_HAVE_ADIOS2
		if (io::stringToIOType(parameters.get_output_format()) == io::IOType::ADIOS2)
		last_completed =
		DCA_info_struct.readData(file_name_, parameters.get_output_format(), concurrency, adios_);
		if (iotype == io::IOType::ADIOS2)
		last_completed = DCA_info_struct.readData(
		autoresume_filename, parameters.get_output_format(), concurrency, adios_);
		else
		#endif
		last_completed =
		DCA_info_struct.readData(file_name_ + ".tmp", parameters.get_output_format(), concurrency);
		}
		last_completed = DCA_info_struct.readData(autoresume_filename,
		parameters.get_output_format(), concurrency);
		if (last_completed >= 0) {
		if (concurrency.id() == concurrency.first())
		std::cout << "\n ***** Resuming DCA from iteration " << last_completed + 1 << " *****\n"
		std::cout << "\n ******* Resuming DCA from iteration " << last_completed + 1
		<< " *******\n"
		<< std::endl;

		dca_iteration_ = std::min(last_completed + 1, parameters.get_dca_iterations() - 1);
		#ifdef DCA_HAVE_ADIOS2
		MOMS.initializeSigma(adios_, file_name_ + ".tmp");
		if (iotype == io::IOType::ADIOS2)
		MOMS.initializeSigma(adios_, autoresume_filename);
		else
		#else
		MOMS.initializeSigma(file_name_ + ".tmp");
		MOMS.initializeSigma(autoresume_filename);
		#endif
		perform_lattice_mapping();
		}
		}
		else if (parameters.get_initial_self_energy() != "zero") {
		#ifdef DCA_HAVE_ADIOS2
		if (io::extensionToIOType(parameters.get_initial_self_energy()) == io::IOType::ADIOS2)
		MOMS.initializeSigma(adios_, parameters.get_initial_self_energy());
		else
		#else
		MOMS.initializeSigma(parameters.get_initial_self_energy());
		#endif

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

+6 −6

Original line number	Diff line number	Diff line
		@@ -89,7 +89,8 @@ public:

		auto transformMFunction(const MFuncAndSign& mfs) const;
		auto computeSingleMeasurement_G_k_w(const SpGreensFunction& M_k_w) const;
		void logSingleMeasurement(StdThreadAccumulatorType& accumulator, int stamping_period, bool log_MFunction) const;
		void logSingleMeasurement(StdThreadAccumulatorType& accumulator, int stamping_period,
		bool log_MFunction) const;

		private:
		void startWalker(int id);
		@@ -230,9 +231,7 @@ void StdThreadQmciClusterSolver<QmciSolver>::integrate() {
		throw std::logic_error("Thread task is undefined.");
		}
		auto print_metadata = [&]() {
		std::cout << "walk_finished_: " << walk_finished_ << " params: " << parameters_.get_walkers()
		<< std::endl;
		// assert(walk_finished_ == parameters_.get_walkers());
		assert(walk_finished_ == parameters_.get_walkers());

		dca::profiling::WallTime end_time;

		@@ -445,7 +444,8 @@ auto StdThreadQmciClusterSolver<QmciSolver>::computeSingleMeasurement_G_k_w(
		}

		template <class QmciSolver>
		void StdThreadQmciClusterSolver<QmciSolver>::logSingleMeasurement(StdThreadAccumulatorType& accumulator_obj, int stamping_period, bool log_MFunction) const {
		void StdThreadQmciClusterSolver<QmciSolver>::logSingleMeasurement(
		StdThreadAccumulatorType& accumulator_obj, int stamping_period, bool log_MFunction) const {
		if (accumulator_obj.get_meas_id() % stamping_period == 0) {
		auto mfs = ThisType::getSingleMFunc(accumulator_obj);
		auto M_k_w = ThisType::transformMFunction(mfs);

include/dca/phys/parameters/mci_parameters.hpp

+1 −3

Original line number	Diff line number	Diff line
		@@ -42,8 +42,6 @@ public:
		walkers_(1),
		accumulators_(1),
		shared_walk_and_accumulation_thread_(false),
		// TODO: consider setting default do true.
		fix_meas_per_walker_(false),
		adjust_self_energy_for_double_counting_(false),
		error_computation_type_(ErrorComputationType::NONE),
		store_configuration_(true),
		@@ -155,7 +153,7 @@ private:
		int accumulators_;
		bool shared_walk_and_accumulation_thread_;
		bool distributed_g4_enabled_;
		bool fix_meas_per_walker_;
		bool fix_meas_per_walker_ = true;
		bool adjust_self_energy_for_double_counting_;
		ErrorComputationType error_computation_type_;
		bool store_configuration_;