adding test program for single measurement out. reverse Mfunc sign (aa2f5698) · Commits · NDIP / Tool Sources / Direct-Geometry Spectroscopy / DCA / DCA Main

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

+8 −3

Original line number	Diff line number	Diff line
		@@ -55,7 +55,7 @@ public:

		void logPerConfigurationGreensFunction(const SpGreensFunction&) const;

		void logPerConfigurationMFunction(const SpGreensFunction&) const;
		void logPerConfigurationMFunction(const SpGreensFunction&, const int sign) const;

		void measure();

		@@ -156,17 +156,22 @@ void StdThreadQmciAccumulator<QmciAccumulator, SpGreensFunction>::measure() {

		template <class QmciAccumulator, class SpGreensFunction>
		void StdThreadQmciAccumulator<QmciAccumulator, SpGreensFunction>::logPerConfigurationMFunction(
		const SpGreensFunction& mfunc) const {
		const SpGreensFunction& mfunc, const int sign) const {
		const bool print_to_log = writer_ && static_cast<bool>(*writer_); // File exists and it is open.
		if (print_to_log && stamping_period_ && (meas_id_ % stamping_period_) == 0) {
		if (writer_ && (writer_->isADIOS2() \|\| concurrency_id_ == 0)) {
		const std::string stamp_name = "r_" + std::to_string(concurrency_id_) + "_meas_" +
		std::to_string(meas_id_) + "_w_" +
		std::to_string(walker_thread_id_);
		// Normally we /= the sign but here it is going to be strictly +/- 1 so the
		// faster operation can be used.
		auto signFreeMFunc = mfunc;
		signFreeMFunc *= -sign;
		writer_->lock();
		writer_->open_group("STQW_Configurations");
		writer_->open_group(stamp_name);
		writer_->execute("MFunction", mfunc);
		writer_->execute("MFunction", signFreeMFunc);
		writer_->execute("sign", sign);
		writer_->close_group();
		writer_->close_group();
		writer_->unlock();

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

+7 −2

Original line number	Diff line number	Diff line
		@@ -78,10 +78,15 @@ public:
		const int sign;
		};

		/** gets the MFunction which for CT-INT and CT-AUX is M_r_w
		* we also need the sign since the MFunction is accumulated
		* with as a product of fval and sign
		*/
		MFuncAndSign getSingleMFunc(StdThreadAccumulatorType& accumulator) const {
		const MFunction& mfunc(accumulator.get_single_measurement_sign_times_MFunction());
		return {mfunc, accumulator.get_sign()};
		};

		auto transformMFunction(const MFuncAndSign& mfs) const;
		auto computeSingleMeasurement_G_k_w(const SpGreensFunction& M_k_w);

		@@ -471,7 +476,7 @@ void StdThreadQmciClusterSolver<QmciSolver>::startAccumulator(int id, const Para
		auto M_k_w = transformMFunction(mfs);
		auto single_meas_G_k_w = computeSingleMeasurement_G_k_w(M_k_w);
		if(parameters.per_measurement_MFunction())
		accumulator_obj.logPerConfigurationMFunction(M_k_w);
		accumulator_obj.logPerConfigurationMFunction(M_k_w, mfs.sign);
		accumulator_obj.logPerConfigurationGreensFunction(single_meas_G_k_w);
		accumulator_obj.clearSingleMeasurement();
		}
		@@ -542,7 +547,7 @@ void StdThreadQmciClusterSolver<QmciSolver>::startWalkerAndAccumulator(int id, c
		auto M_k_w = transformMFunction(mfs);
		auto single_meas_G_k_w = computeSingleMeasurement_G_k_w(M_k_w);
		if(parameters.per_measurement_MFunction())
		accumulator_obj.logPerConfigurationMFunction(M_k_w);
		accumulator_obj.logPerConfigurationMFunction(M_k_w, mfs.sign);
		accumulator_obj.logPerConfigurationGreensFunction(single_meas_G_k_w);
		accumulator_obj.clearSingleMeasurement();
		}

test/integration/cluster_solver/stdthread_qmci/stdthread_ctint_cluster_solver_test.cpp

+32 −7

Original line number	Diff line number	Diff line
		@@ -44,13 +44,14 @@ using RngType = dca::math::random::StdRandomWrapper<std::mt19937_64>;
		using Lattice = dca::phys::models::square_lattice<dca::phys::domains::D4>;
		using Model = dca::phys::models::TightBindingModel<Lattice>;
		using StdThreading = dca::parallel::stdthread;
		using Parameters = dca::phys::params::Parameters<TestConcurrency, StdThreading, dca::profiling::NullProfiler,
		using Parameters =
		dca::phys::params::Parameters<TestConcurrency, StdThreading, dca::profiling::NullProfiler,
		Model, RngType, dca::ClusterSolverId::CT_INT>;
		using Data = dca::phys::DcaData<Parameters>;
		using BaseSolver = dca::phys::solver::CtintClusterSolver<dca::linalg::CPU, Parameters>;
		using QmcSolver = dca::phys::solver::StdThreadQmciClusterSolver<BaseSolver>;

		void performTest(const std::string& input, const std::string& baseline) {
		void performBaselineTest(const std::string& input, const std::string& baseline) {
		static bool update_model = true;

		TestConcurrency concurrency(0, nullptr);
		@@ -105,11 +106,35 @@ void performTest(const std::string& input, const std::string& baseline) {
		}

		TEST(PosixCtintClusterSolverTest, NonShared) {
		performTest("stdthread_ctint_test_nonshared_input.json",
		performBaselineTest("stdthread_ctint_test_nonshared_input.json",
		"stdthread_ctint_test_nonshared_baseline.hdf5");
		}

		TEST(PosixCtintClusterSolverTest, Shared) {
		performTest("stdthread_ctint_test_shared_input.json",
		performBaselineTest("stdthread_ctint_test_shared_input.json",
		"stdthread_ctint_test_shared_baseline.hdf5");
		}

		TEST(PosixCtintClusterSolverTest, PerMeasurementIO) {
		static bool update_model = true;

		TestConcurrency concurrency(0, nullptr);

		Parameters parameters(dca::util::GitVersion::string(), concurrency);
		parameters.read_input_and_broadcast<dca::io::JSONReader>(
		input_dir + "stdthread_ctint_test_per_sample_output.json");
		if (update_model) {
		parameters.update_model();
		parameters.update_domains();
		}
		update_model = false;

		// Initialize data with G0 computation.
		Data data(parameters);
		data.initialize();

		// Do one integration step.
		QmcSolver qmc_solver(parameters, data, nullptr);
		qmc_solver.initialize(0);
		qmc_solver.integrate();
		}

test/integration/cluster_solver/stdthread_qmci/stdthread_ctint_test_per_sample_output.json

0 → 100644

+64 −0

Original line number	Diff line number	Diff line
		{
		"output" :
		{
		"directory": "./",
		"output-format": "ADIOS2",
		"filename-dca": "single_meas_G.bp",
		"dump-lattice-self-energy": true,
		"dump-cluster-Greens-functions" : true
		},
		"physics": {
		"beta" : 2,
		"chemical-potential" : 0
		},

		"single-band-Hubbard-model":
		{
		"t" : 1,
		"U" : 5
		},

		"domains": {
		"real-space-grids": {
		"cluster": [[2, 0],
		[0, 2]]
		},

		"imaginary-time": {
		"sp-time-intervals": 512
		},

		"imaginary-frequency": {
		"sp-fermionic-frequencies": 512,
		"four-point-fermionic-frequencies": 8
		}
		},

		"CT-INT" : {
		"initial-configuration-size" :5,
		"alpha-dd-pos" : 0.501
		},

		"DCA": {
		"iterations": 1,
		"self-energy-mixing-factor": 1.,
		"interacting-orbitals": [0]
		},

		"Monte-Carlo-integration" :
		{
		"warm-up-sweeps" : 100,
		"sweeps-per-measurement" : 1,
		"measurements" : 400,

		"threaded-solver" : {
		"walkers": 1,
		"accumulators": 1,
		"shared-walk-and-accumulation-thread": true,
		"fix-meas-per-walker": true
		},
		"stamping-period" : 1,
		"per-measurement-MFunction" : true,
		"seed" : 0
		}
		}