Merge remote-tracking branch 'origin/single_measurement_G_k_w' into single_measurement_G_k_w (ce481e59) · Commits · NDIP / Tool Sources / Direct-Geometry Spectroscopy / DCA / DCA Main

build-aux/summit_load_modules.sh

+3 −1

Original line number	Diff line number	Diff line
		@@ -11,9 +11,11 @@ module load cuda/11.1.1 # ldd shows magma is built with this cuda
		module load magma/2.6.1
		module load hdf5
		module load fftw
		module load cmake/3.20.2 # at least 3.20 is required
		module load cmake/3.21.3
		module load netlib-lapack
		module load essl
		module load adios2
		module load ninja

		export CC=mpicc
		export CXX=mpic++

include/dca/io/reader.hpp

+21 −15

Original line number	Diff line number	Diff line
		@@ -31,31 +31,40 @@ class Reader {
		public:
		// In: format. output format, HDF5 or JSON.
		// In: verbose. If true, the reader outputs a short log whenever it is executed.
		Reader(
		#ifdef DCA_HAVE_ADIOS2
		const adios2::ADIOS& adios,
		#endif
		const Concurrency& concurrency, const std::string& format, bool verbose = true)
		:
		#ifdef DCA_HAVE_ADIOS2
		adios_(adios),
		#endif
		concurrency_(concurrency) {
		Reader(const Concurrency& concurrency, const std::string& format, bool verbose = true)
		: concurrency_(concurrency) {
		if (format == "HDF5") {
		reader_.template emplace<io::HDF5Reader>(verbose);
		}
		else if (format == "JSON") {
		reader_.template emplace<io::JSONReader>(verbose);
		}
		else if (format == "ADIOS2") {
		throw(std::logic_error("ADIOS2 reader requires an adios reference"));
		}
		else {
		throw(std::logic_error("Invalid input format"));
		}
		}

		#ifdef DCA_HAVE_ADIOS2
		Reader(adios2::ADIOS& adios, const Concurrency& concurrency, const std::string& format,
		bool verbose = true)
		: concurrency_(concurrency) {
		if (format == "HDF5") {
		throw(std::logic_error("ADIOS2 reference not an argument for hdf5 reader"));
		}
		else if (format == "JSON") {
		throw(std::logic_error("ADIOS2 reference not an argument for json reader"));
		}
		else if (format == "ADIOS2") {
		reader_.template emplace<io::ADIOS2Reader<Concurrency>>(&concurrency, verbose);
		reader_.template emplace<io::ADIOS2Reader<Concurrency>>(adios, &concurrency, verbose);
		}
		#endif
		else {
		throw(std::logic_error("Invalid input format"));
		}
		}
		#endif

		constexpr static bool is_reader = true;
		constexpr static bool is_writer = false;
		@@ -92,9 +101,6 @@ private:
		#endif
		>
		reader_;
		#ifdef DCA_HAVE_ADIOS2
		const adios2::ADIOS& adios_;
		#endif
		const Concurrency& concurrency_;
		};

include/dca/phys/dca_data/dca_data.hpp

+2 −3

Original line number	Diff line number	Diff line
		@@ -111,7 +111,7 @@ public:

		void read(const std::string& filename);
		#ifdef DCA_HAVE_ADIOS2
		void read(const adios2::ADIOS& adios, std::string filename);
		void read(adios2::ADIOS& adios, std::string filename);
		#endif

		/** prefer this as it allows for more sensible handling of appendable files like bp4.
		@@ -361,7 +361,7 @@ void DcaData<Parameters, DT>::read(const std::string& filename) {

		#ifdef DCA_HAVE_ADIOS2
		template <class Parameters, DistType DT>
		void DcaData<Parameters, DT>::read(const adios2::ADIOS& adios, std::string filename) {
		void DcaData<Parameters, DT>::read(adios2::ADIOS& adios, std::string filename) {
		if (concurrency_.id() == concurrency_.first())
		std::cout << "\n\n\t starts reading \n\n";

		@@ -413,7 +413,6 @@ void DcaData<Parameters, DT>::read(dca::io::Reader<typename Parameters::concurre
		}

		#ifdef DCA_WITH_ADIOS2

		template <class Parameters, DistType DIST>
		void DcaData<Parameters, DIST>::writeAdios(adios2::ADIOS& adios) {
		if constexpr (DIST == DistType::BLOCKED \|\| DIST == DistType::LINEAR) {

include/dca/phys/dca_loop/dca_loop.hpp

+17 −7

Original line number	Diff line number	Diff line
		// Copyright (C) 2018 ETH Zurich
		// Copyright (C) 2018 UT-Battelle, LLC
		// Copyright (C) 2022 ETH Zurich
		// Copyright (C) 2022 UT-Battelle, LLC
		// All rights reserved.
		//
		// See LICENSE for terms of usage.
		@@ -7,6 +7,7 @@
		//
		// Author: Peter Staar (taa@zurich.ibm.com)
		// Andrei Plamada (plamada@itp.phys.ethz.ch)
		// Peter Doak (doakpw@ornl.gov)
		//
		// This class executes the DCA(+) loop.

		@@ -23,6 +24,7 @@
		#include "dca/function/domains.hpp"
		#include "dca/io/filesystem.hpp"
		#include "dca/io/writer.hpp"
		#include "dca/io/io_types.hpp"
		#include "dca/phys/dca_algorithms/compute_greens_function.hpp"
		#include "dca/phys/dca_data/dca_data.hpp"
		#include "dca/phys/dca_loop/dca_loop_data.hpp"
		@@ -141,9 +143,6 @@ DcaLoop<ParametersType, DcaDataType, MCIntegratorType, DIST>::DcaLoop(
		concurrency(concurrency_ref),
		#ifdef DCA_HAVE_ADIOS2
		adios_("", concurrency_ref.get()),
		DCA_info_struct(adios_),
		#else
		DCA_info_struct(),
		#endif
		cluster_exclusion_obj(parameters, MOMS),
		double_counting_correction_obj(parameters, MOMS),
		@@ -208,8 +207,19 @@ void DcaLoop<ParametersType, DDT, MCIntegratorType, DIST>::initialize() {
		int last_completed = -1;

		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?
		#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_);
		else
		#endif
		last_completed =
		DCA_info_struct.tryToRead(file_name_ + ".tmp", parameters.get_output_format(), concurrency);
		DCA_info_struct.readData(file_name_ + ".tmp", parameters.get_output_format(), concurrency);
		}
		if (last_completed >= 0) {
		if (concurrency.id() == concurrency.first())

include/dca/phys/dca_loop/dca_loop_data.hpp

+51 −40

Original line number	Diff line number	Diff line
		@@ -44,24 +44,21 @@ public:
		using k_DCA =
		func::dmn_0<domains::cluster_domain<double, ParametersType::lattice_type::DIMENSION, domains::CLUSTER,
		domains::MOMENTUM_SPACE, domains::BRILLOUIN_ZONE>>;

		#ifdef DCA_HAVE_ADIOS2
		DcaLoopData(adios2::ADIOS& adios);
		#else
		DcaLoopData();
		#endif
		template <typename Writer>
		void write(Writer& writer);

		template <typename WRITER>
		void write(WRITER& writer);

		// Attempts to read the loop functions from 'filename'. If successful returns
		// the last completed iteration from the input file, otherwise it returns -1.
		int tryToRead(const std::string& filename, const std::string& format,
		int readData(const std::string& filename, const std::string& format,
		const Concurrency& concurrency);

		#ifdef DCA_HAVE_ADIOS2
		const adios2::ADIOS& adios_;
		int readData(const std::string& filename, const std::string& format,
		const Concurrency& concurrency, adios2::ADIOS& adios);
		#endif

		template<class READER>
		void readLoopDataCommon(READER& reader, const std::string& filename, const std::string& format);
		func::function<double, DCA_iteration_domain_type> Gflop_per_mpi_task;
		func::function<double, DCA_iteration_domain_type> times_per_mpi_task;

		@@ -99,9 +96,6 @@ DcaLoopData<ParametersType>::DcaLoopData(adios2::ADIOS& adios)
		DcaLoopData<ParametersType>::DcaLoopData()
		#endif
		:
		#ifdef DCA_HAVE_ADIOS2
		adios_(adios),
		#endif
		Gflop_per_mpi_task("Gflop_per_mpi_task"),
		times_per_mpi_task("times_per_mpi_task"),

		@@ -160,14 +154,35 @@ void DcaLoopData<ParametersType>::write(Writer& writer) {
		}

		template <typename ParametersType>
		int DcaLoopData<ParametersType>::tryToRead(const std::string& filename, const std::string& format,
		int DcaLoopData<ParametersType>::readData(const std::string& filename, const std::string& format,
		const Concurrency& concurrency) {
		if (concurrency.id() == concurrency.first() && filesystem::exists(filename)) {
		#ifdef DCA_HAVE_ADIOS2
		io::Reader reader(adios_, concurrency, format, false);
		#else
		io::Reader reader(concurrency, format, false);
		readLoopDataCommon(reader, filename, format);
		}
		concurrency.broadcast(last_completed_iteration);
		return last_completed_iteration;
		}

		#ifdef DCA_HAVE_ADIOS2
		template <typename ParametersType>
		int DcaLoopData<ParametersType>::readData(const std::string& filename, const std::string& format,
		const Concurrency& concurrency,
		adios2::ADIOS& adios) {
		if (concurrency.id() == concurrency.first() && filesystem::exists(filename)) {
		io::Reader reader(adios, concurrency, format, false);
		readLoopDataCommon(reader, filename, format);
		}
		concurrency.broadcast(last_completed_iteration);
		return last_completed_iteration;
		}
		#endif

		template <typename ParametersType>
		template <class READER>
		void DcaLoopData<ParametersType>::readLoopDataCommon(READER& reader,
		const std::string& filename,
		const std::string& format) {
		reader.open_file(filename);
		reader.open_group("DCA-loop-functions");

		@@ -196,10 +211,6 @@ int DcaLoopData<ParametersType>::tryToRead(const std::string& filename, const st
		reader.close_file();
		}

		concurrency.broadcast(last_completed_iteration);
		return last_completed_iteration;
		}

		} // namespace phys
		} // namespace dca