Merge remote-tracking branch 'origin/master' into generic_container (a779f570) · Commits · NDIP / Tool Sources / Direct-Geometry Spectroscopy / DCA / DCA Main

cmake/dca_config.cmake

+43 −26

Original line number	Diff line number	Diff line
		################################################################################
		# Author: Urs R. Haehner (haehneru@itp.phys.ethz.ch)
		# Giovanni Badlduzzi (gbalduzz@itp.phys.ethz.ch)
		#
		# Build options for DCA++.

		@@ -53,8 +54,8 @@ endif()
		# TODO: Add more point groups and lattices.

		# Point group
		set(DCA_POINT_GROUP "D4" CACHE STRING "Point group symmetry, options are: C6 \| D4.")
		set_property(CACHE DCA_POINT_GROUP PROPERTY STRINGS C6 D4)
		set(DCA_POINT_GROUP "D4" CACHE STRING "Point group symmetry, options are: C6 \| D4 \| no_symmetry<2>.")
		set_property(CACHE DCA_POINT_GROUP PROPERTY STRINGS C6 D4 no_symmetry<2>)

		if (DCA_POINT_GROUP STREQUAL "C6")
		set(DCA_POINT_GROUP_INCLUDE
		@@ -63,14 +64,18 @@ if (DCA_POINT_GROUP STREQUAL "C6")
		elseif (DCA_POINT_GROUP STREQUAL "D4")
		set(DCA_POINT_GROUP_INCLUDE "dca/phys/domains/cluster/symmetries/point_groups/2d/2d_square.hpp")

		elseif (DCA_POINT_GROUP STREQUAL "no_symmetry<2>")
		set(DCA_POINT_GROUP_INCLUDE "dca/phys/domains/cluster/symmetries/point_groups/no_symmetry.hpp")

		else()
		message(FATAL_ERROR "Please set DCA_POINT_GROUP to a valid option: C6 \| D4.")
		endif()

		# Lattice type
		set(DCA_LATTICE "square" CACHE STRING
		"Lattice type, options are: bilayer \| square \| triangular \| twoband_chain \| singleband_chain.")
		set_property(CACHE DCA_LATTICE PROPERTY STRINGS bilayer square triangular twoband_chain singleband_chain)
		set(DCA_LATTICE "square" CACHE STRING "Lattice type, options are: bilayer \| square \| triangular \|
		hund \| twoband_Cu \| threeband \| FeAs.")
		set_property(CACHE DCA_LATTICE PROPERTY STRINGS bilayer square triangular hund twoband_Cu threeband
		FeAs)

		if (DCA_LATTICE STREQUAL "bilayer")
		set(DCA_LATTICE_TYPE dca::phys::models::bilayer_lattice<PointGroup>)
		@@ -86,19 +91,30 @@ elseif (DCA_LATTICE STREQUAL "triangular")
		set(DCA_LATTICE_TYPE dca::phys::models::triangular_lattice<PointGroup>)
		set(DCA_LATTICE_INCLUDE
		"dca/phys/models/analytic_hamiltonians/triangular_lattice.hpp")
		elseif (DCA_LATTICE STREQUAL "hund")
		set(DCA_LATTICE_TYPE dca::phys::models::HundLattice<PointGroup>)

		elseif (DCA_LATTICE STREQUAL "threeband")
		set(DCA_LATTICE_TYPE dca::phys::models::ThreebandHubbard<PointGroup>)
		set(DCA_LATTICE_INCLUDE
		"dca/phys/models/analytic_hamiltonians/threeband_hubbard.hpp")

		elseif (DCA_LATTICE STREQUAL "twoband_chain")
		set(DCA_LATTICE_TYPE dca::phys::models::twoband_chain<dca::phys::domains::no_symmetry<1>>)
		set(DCA_LATTICE_INCLUDE
		"dca/phys/models/analytic_hamiltonians/twoband_chain.hpp")

		elseif (DCA_LATTICE STREQUAL "singleband_chain")
		set(DCA_LATTICE_TYPE dca::phys::models::singleband_chain<dca::phys::domains::no_symmetry<1>>)
		"dca/phys/models/analytic_hamiltonians/hund_lattice.hpp")
		elseif (DCA_LATTICE STREQUAL "FeAs")
		set(DCA_LATTICE_TYPE dca::phys::models::FeAsLattice<PointGroup>)
		set(DCA_LATTICE_INCLUDE
		"dca/phys/models/analytic_hamiltonians/fe_as_lattice.hpp")
		elseif (DCA_LATTICE STREQUAL "twoband_Cu")
		set(DCA_LATTICE_TYPE dca::phys::models::TwoBandCu<PointGroup>)
		set(DCA_LATTICE_INCLUDE
		"dca/phys/models/analytic_hamiltonians/singleband_chain.hpp")
		"dca/phys/models/analytic_hamiltonians/twoband_Cu.hpp")

		else()
		message(FATAL_ERROR
		"Please set DCA_LATTICE to a valid option: bilayer \| square \| triangular \| twoband_chain \| singleband_chain.")
		message(FATAL_ERROR "Please set DCA_LATTICE to a valid option: bilayer \| square \| triangular \|
		hund \| twoband_Cu \| threeband \| FeAs.")
		endif()

		# Model type
		@@ -235,16 +251,6 @@ if (DCA_WITH_QMC_BIT)
		dca_add_config_define(DCA_WITH_QMC_BIT)
		endif()

		################################################################################
		# Single precision measurements
		# TODO: maybe change to ON by default.
		option(DCA_WITH_SINGLE_PRECISION_TP_MEASUREMENTS "Measure in single precision." OFF)
		mark_as_advanced(DCA_WITH_SINGLE_PRECISION_TP_MEASUREMENTS)

		if (DCA_WITH_SINGLE_PRECISION_TP_MEASUREMENTS)
		dca_add_config_define(DCA_WITH_SINGLE_PRECISION_TP_MEASUREMENTS)
		endif()

		################################################################################
		# Gnuplot
		option(DCA_WITH_GNUPLOT "Enable Gnuplot." OFF)
		@@ -267,7 +273,7 @@ else()
		endif()

		################################################################################
		# Accumulation options.
		# MC options.
		option(DCA_WITH_MEMORY_SAVINGS "Save memory in the two particle accumulation at a slight performance
		cost." OFF)
		mark_as_advanced(DCA_WITH_MEMORY_SAVINGS)
		@@ -277,12 +283,23 @@ else()
		set(MEMORY_SAVINGS false)
		endif()

		if (DCA_WITH_SINGLE_PRECISION_MEASUREMENTS)
		option(DCA_WITH_SINGLE_PRECISION_MC "Perform Monte Carlo and measurements in single precision." OFF)
		option(DCA_WITH_SINGLE_PRECISION_TP_MEASUREMENTS "Measure two particle function in single precision." OFF)

		if (DCA_WITH_SINGLE_PRECISION_MC)
		set(DCA_WITH_SINGLE_PRECISION_TP_MEASUREMENTS ON CACHE BOOL "Measure two particle function in single precision." FORCE)
		set(MC_SCALAR float)
		else()
		set(MC_SCALAR double)
		endif()

		if (DCA_WITH_SINGLE_PRECISION_TP_MEASUREMENTS)
		set(TP_ACCUMULATION_SCALAR float)
		else()
		set(TP_ACCUMULATION_SCALAR double)
		endif()


		option(DCA_WITH_MANAGED_MEMORY "Use managed memory allocator." OFF)
		mark_as_advanced(DCA_WITH_MANAGED_MEMORY)
		if (DCA_WITH_MANAGED_MEMORY)
		@@ -291,8 +308,8 @@ else()
		set(TWO_PARTICLE_ALLOCATOR "dca::linalg::util::DeviceAllocator<T>")
		endif()

		configure_file("${PROJECT_SOURCE_DIR}/include/dca/config/accumulation_options.hpp.in"
		"${CMAKE_BINARY_DIR}/include/dca/config/accumulation_options.hpp" @ONLY)
		configure_file("${PROJECT_SOURCE_DIR}/include/dca/config/mc_options.hpp.in"
		"${CMAKE_BINARY_DIR}/include/dca/config/mc_options.hpp" @ONLY)


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

include/dca/config/cmake_options.hpp

+1 −0

Original line number	Diff line number	Diff line
		@@ -40,6 +40,7 @@ struct CMakeOptions {
		static const std::string dca_profiler;
		static const std::string dca_with_autotuning;
		static const std::string dca_with_gnuplot;
		static const std::string dca_with_single_precision_mc;
		static const std::string dca_with_single_precision_tp_measurements;
		static const std::string dca_with_memory_savings;
		static const std::string dca_with_managed_memory;

include/dca/config/accumulation_options.hpp.in→include/dca/config/mc_options.hpp.in

+8 −7

Original line number	Diff line number	Diff line
		@@ -9,20 +9,21 @@
		//
		// This class stores compile time options for the MC accumulation.

		#ifndef DCA_CONFIG_ACCUMULATION_OPTIONS_HPP
		#define DCA_CONFIG_ACCUMULATION_OPTIONS_HPP
		#ifndef DCA_CONFIG_MC_OPTIONS_HPP
		#define DCA_CONFIG_MC_OPTIONS_HPP

		#ifdef DCA_HAVE_CUDA
		#include "dca/linalg/util/allocators/device_allocator.hpp"
		#include "dca/linalg/util/allocators/managed_allocator.hpp"
		#endif // DCA_HAVE_CUDA


		namespace dca {
		namespace config {
		// dca::config::

		struct AccumulationOptions {
		struct McOptions {
		using MCScalar = @MC_SCALAR@;

		using TPAccumulationScalar = @TP_ACCUMULATION_SCALAR@;

		static constexpr bool memory_savings = @MEMORY_SAVINGS@;
		@@ -33,7 +34,7 @@ struct AccumulationOptions {
		#endif // DCA_HAVE_CUDA
		};

		} // config
		} // dca
		} // namespace config
		} // namespace dca

		#endif // DCA_CONFIG_ACCUMULATION_OPTIONS_HPP
		#endif // DCA_CONFIG_MC_OPTIONS_HPP

include/dca/function/domains/dmn_0.hpp

+3 −3

Original line number	Diff line number	Diff line
		@@ -37,7 +37,7 @@ public:
		return parameters::get_size();
		}

		static std::vector<element_type>& get_elements() {
		static const std::vector<element_type>& get_elements() {
		return parameters::get_elements();
		}

		@@ -75,7 +75,7 @@ void dmn_0<parameters>::reset() {
		dmn_0::initialize();
		}

		} // func
		} // dca
		} // namespace func
		} // namespace dca

		#endif // DCA_FUNCTION_DOMAINS_DMN_0_HPP

include/dca/function/function.hpp

+14 −0

Original line number	Diff line number	Diff line
		@@ -77,6 +77,8 @@ public:
		// the other function's construction.
		// Postcondition: The function's name is unchanged.
		function<scalartype, domain>& operator=(const function<scalartype, domain>& other);
		template <typename Scalar2>
		function<scalartype, domain>& operator=(const function<Scalar2, domain>& other);

		// Move assignment operator
		// Replaces the function's elements with those of other using move semantics.
		@@ -345,6 +347,18 @@ function<scalartype, domain>& function<scalartype, domain>::operator=(
		return *this;
		}

		template <typename Scalar, class domain>
		template <typename Scalar2>
		function<Scalar, domain>& function<Scalar, domain>::operator=(const function<Scalar2, domain>& other) {
		if (size() != other.size()) {
		throw(std::logic_error("Function size does not match."));
		}

		std::copy_n(other.values(), Nb_elements, fnc_values);

		return *this;
		}

		template <typename scalartype, class domain>
		function<scalartype, domain>& function<scalartype, domain>::operator=(
		function<scalartype, domain>&& other) {