can write most/all output with ADIOS2 (6e538796) · Commits · NDIP / Tool Sources / Direct-Geometry Spectroscopy / DCA / DCA Main

include/dca/io/adios2/adios2_writer.hpp

+26 −10

Original line number	Diff line number	Diff line
		@@ -63,6 +63,9 @@ public:
		void open_group(const std::string& new_path);
		void close_group();

		void begin_step();
		void end_step();

		std::string get_path(const std::string& name = "");

		template <typename arbitrary_struct_t>
		@@ -172,6 +175,9 @@ private:
		void write(const std::string& name, const std::vector<size_t>& size, const Scalar* data,
		const std::vector<size_t>& start, const std::vector<size_t>& count);

		template <typename T, typename... Args>
		void getVariable(const std::string& name, adios2::Variable<T>& var, const Args&... args);

		template <typename Scalar>
		void addAttribute(const std::string& set, const std::string& name,
		const std::vector<size_t>& size, const Scalar* data);
		@@ -193,6 +199,17 @@ private:
		std::vector<size_t> size_check_;
		};

		template <class CT>
		template <typename T, typename... Args>
		void ADIOS2Writer<CT>::getVariable(const std::string& name, adios2::Variable<T>& var,
		const Args&... args) {
		adios2::Variable<T> var_temp = io_.InquireVariable<T>(name);
		if (static_cast<bool>(var_temp) == false)
		var = io_.DefineVariable<T>(name, args...);
		else
		var = var_temp;
		}

		template <class CT>
		template <typename arbitrary_struct_t>
		void ADIOS2Writer<CT>::to_file(adios2::ADIOS& adios, const arbitrary_struct_t& arbitrary_struct,
		@@ -220,7 +237,6 @@ void ADIOS2Writer<CT>::execute(const std::string& name, bool value) {
		write<int>(full_name, dims, &int_value);
		}


		template <class CT>
		template <typename Scalar>
		void ADIOS2Writer<CT>::execute(const std::string& name, const std::pair<Scalar, Scalar>& value) {
		@@ -270,7 +286,7 @@ void ADIOS2Writer<CT>::execute(const std::string& name,
		adios2::Dims dims{nTotal};
		adios2::Variable<Scalar> vVecs;
		adios2::Dims start{0};
		vVecs = io_.DefineVariable<Scalar>(full_name, dims, start, dims);
		getVariable<Scalar>(full_name, vVecs, dims, start, dims);

		typename adios2::Variable<Scalar>::Span span = file_.Put(vVecs);
		size_t pos = 0;
		@@ -296,7 +312,7 @@ void ADIOS2Writer<CT>::execute(const std::string& name,
		adios2::Dims dims{value.size(), n};
		adios2::Variable<Scalar> v;
		adios2::Dims start{0, 0};
		v = io_.DefineVariable<Scalar>(full_name, dims, start, dims);
		getVariable(full_name, v, dims, start, dims);

		typename adios2::Variable<Scalar>::Span span = file_.Put(v);

		@@ -535,11 +551,11 @@ void ADIOS2Writer<CT>::write(const std::string& name, const std::vector<size_t>&
		size_t ndim = size.size();
		adios2::Variable<Scalar> v;
		if (ndim == 0) {
		v = io_.DefineVariable<Scalar>(name);
		getVariable<Scalar>(name, v);
		}
		else {
		std::vector<size_t> start(ndim, 0);
		v = io_.DefineVariable<Scalar>(name, size, start, size);
		getVariable<Scalar>(name, v, size, start, size);
		}
		file_.Put(v, data, adios2::Mode::Sync);
		}
		@@ -552,10 +568,10 @@ void ADIOS2Writer<CT>::write(const std::string& name, const std::vector<size_t>&
		size_t ndim = size.size();
		adios2::Variable<Scalar> v;
		if (ndim == 0) {
		v = io_.DefineVariable<Scalar>(name);
		getVariable<Scalar>(name, v);
		}
		else {
		v = io_.DefineVariable<Scalar>(name, size, start, count);
		getVariable<Scalar>(name, v, size, start, count);
		}
		file_.Put(v, data, adios2::Mode::Sync);
		}

include/dca/io/hdf5/hdf5_writer.hpp

+3 −0

Original line number	Diff line number	Diff line
		@@ -56,6 +56,9 @@ public:

		std::string get_path();

		void begin_step() {};
		void end_step() {};

		void erase(const std::string& name);

		template <typename arbitrary_struct_t>

include/dca/io/json/json_writer.hpp

+3 −0

Original line number	Diff line number	Diff line
		@@ -44,6 +44,9 @@ public:
		// Precondition: the current group is not the root.
		void close_group();

		void begin_step() {};
		void end_step() {};

		constexpr static bool is_reader = false;
		constexpr static bool is_writer = true;

include/dca/io/writer.hpp

+31 −23

Original line number	Diff line number	Diff line
		@@ -51,6 +51,14 @@ public:
		constexpr static bool is_reader = false;
		constexpr static bool is_writer = true;

		void begin_step() {
		std::visit([&](auto& var) { var.begin_step();}, writer_);
		}

		void end_step() {
		std::visit([&](auto& var) { var.end_step();}, writer_);
		}

		void open_file(const std::string& file_name, bool overwrite = true) {
		std::visit([&](auto& var) { var.open_file(file_name, overwrite); }, writer_);
		}
		@@ -69,33 +77,33 @@ public:
		template <class... Args>
		void execute(const Args&... args) {
		// currently only the ADIOS2Writer supports parallel writes
		#ifdef DCA_HAVE_ADIOS2
		if constexpr (std::is_same<decltype(writer_), ADIOS2Writer<Concurrency>>::value) {
		std::visit([&](auto& var) { var.execute(args...); }, writer_);
		}
		else {
		#endif
		// #ifdef DCA_HAVE_ADIOS2
		// if constexpr (std::is_same<decltype(writer_), ADIOS2Writer<Concurrency>>::value) {
		// std::visit([&](auto& var) { var.execute(args...); }, writer_);
		// }
		// else {
		// #endif
		if (concurrency_.id() == concurrency_.first()) {
		std::visit([&](auto& var) { var.execute(args...); }, writer_);
		}
		#ifdef DCA_HAVE_ADIOS2
		}
		#endif
		// #ifdef DCA_HAVE_ADIOS2
		// }
		// #endif
		}

		template <class... Args>
		void rewrite(const std::string& name, const Args&... args) {
		#ifdef DCA_HAVE_ADIOS2
		if constexpr (std::is_same<decltype(writer_), ADIOS2Writer<Concurrency>>::value) {
		std::visit(
		[&](auto& var) {
		var.erase(name);
		var.execute(name, args...);
		},
		writer_);
		}
		else {
		#endif
		// #ifdef DCA_HAVE_ADIOS2
		// if constexpr (std::is_same<decltype(writer_), ADIOS2Writer<Concurrency>>::value) {
		// std::visit(
		// [&](auto& var) {
		// var.erase(name);
		// var.execute(name, args...);
		// },
		// writer_);
		// }
		// else {
		// #endif
		if (concurrency_.id() == concurrency_.first()) {
		std::visit(
		[&](auto& var) {
		@@ -104,9 +112,9 @@ public:
		},
		writer_);
		}
		#ifdef DCA_HAVE_ADIOS2
		}
		#endif
		// #ifdef DCA_HAVE_ADIOS2
		// }
		// #endif
		}

		operator bool() const noexcept {

include/dca/phys/dca_data/dca_data.hpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -564,8 +564,8 @@ void DcaData<Parameters, DT>::initialize_G0() {

		template <class Parameters, DistType DT>
		void DcaData<Parameters, DT>::initializeSigma(const std::string& filename) {
		io::Reader reader(concurrency_, parameters_.get_output_format());
		if (concurrency_.id() == concurrency_.first()) {
		io::Reader reader(concurrency_, parameters_.get_output_format());
		reader.open_file(filename);

		if (parameters_.adjust_chemical_potential()) {