Distributed matrix. More...

#include <dmatrix.hpp>

Public Member Functions
	dmatrix (int num_rows__, int num_cols__, BLACS_grid const &blacs_grid__, int bs_row__, int bs_col__, sddk::memory_t mem_type__=sddk::memory_t::host)

	dmatrix (int num_rows__, int num_cols__, sddk::memory_t mem_type__=sddk::memory_t::host)

	dmatrix (int num_rows__, int num_cols__, sddk::memory_pool &mp__, std::string const &label__="")

	dmatrix (T *ptr__, int num_rows__, int num_cols__, BLACS_grid const &blacs_grid__, int bs_row__, int bs_col__)

	dmatrix (int num_rows__, int num_cols__, BLACS_grid const &blacs_grid__, int bs_row__, int bs_col__, sddk::memory_pool &mp__)

	dmatrix (T *ptr__, int num_rows__, int num_cols__)

	dmatrix (dmatrix< T > &&src)=default

dmatrix< T > &	operator= (dmatrix< T > &&src)=default

int	size () const
	Return size of the square matrix or -1 in case of rectangular matrix. More...

int	size_local () const

int	num_rows () const
	Return number of rows in the global matrix. More...

int	num_rows_local () const
	Return local number of rows for this MPI rank. More...

int	num_rows_local (int rank) const
	Return local number of rows for a given MPI rank. More...

int	irow (int irow_loc) const
	Return global row index in the range [0, num_rows) by the local index in the range [0, num_rows_local). More...

int	num_cols () const

int	num_cols_local () const
	Local number of columns. More...

int	num_cols_local (int rank) const

int	icol (int icol_loc) const
	Inindex of column in global matrix. More...

int const *	descriptor () const

spla::MatrixDistribution &	spla_distribution ()

void	copy_to (sddk::memory_t mem__, int ir0__, int ic0__, int nr__, int nc__)

void	set (int ir0__, int jc0__, int mr__, int nc__, T *ptr__, int ld__)

void	set (const int irow_glob, const int icol_glob, T val)

void	add (const int irow_glob, const int icol_glob, T val)

void	add (real_type< T > beta__, const int irow_glob, const int icol_glob, T val)

void	make_real_diag (int n__)

sddk::mdarray< T, 1 >	get_diag (int n__)

auto const &	spl_col () const

auto const &	spl_row () const

int	rank_row () const

int	num_ranks_row () const

int	rank_col () const

int	num_ranks_col () const

int	bs_row () const
	Row blocking factor. More...

int	bs_col () const
	Column blocking factor. More...

auto const &	blacs_grid () const

void	save_to_hdf5 (std::string name__, int m__, int n__)

auto	get_full_matrix () const

nlohmann::json	serialize_to_json (int m__, int n__) const

std::stringstream	serialize (std::string name__, int m__, int n__) const

T	checksum (int m__, int n__) const

auto const &	comm () const

costa::grid_layout< T > &	grid_layout ()

costa::grid_layout< T >	grid_layout (int irow0__, int jcol0__, int mrow__, int ncol__)

Public Member Functions inherited from sirius::sddk::mdarray< T, 2 >
	mdarray ()
	Default constructor. More...

	mdarray (std::array< mdarray_index_descriptor, N > const dims__, memory_t memory__=memory_t::host, std::string label__="")
	N-dimensional array with index bounds. More...

	mdarray (mdarray_index_descriptor const &d0, memory_t memory__=memory_t::host, std::string label__="")
	1D array with memory allocation. More...

	mdarray (mdarray_index_descriptor const &d0, memory_pool &mp__, std::string label__="")
	1D array with memory pool allocation. More...

	mdarray (T *ptr__, mdarray_index_descriptor const &d0, std::string label__="")
	1D array with host pointer wrapper. More...

	mdarray (T ptr__, T ptr_device__, mdarray_index_descriptor const &d0, std::string label__="")
	1D array with host and device pointer wrapper. More...

	mdarray (mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, memory_t memory__=memory_t::host, std::string label__="")
	2D array with memory allocation. More...

	mdarray (mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, memory_t memory__=memory_t::host, std::string label__="")
	3D array with memory allocation. More...

	mdarray (mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, mdarray_index_descriptor const &d3, memory_t memory__=memory_t::host, std::string label__="")
	4D array with memory allocation. More...

	mdarray (mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, mdarray_index_descriptor const &d3, mdarray_index_descriptor const &d4, memory_t memory__=memory_t::host, std::string label__="")
	5D array with memory allocation. More...

	mdarray (mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, mdarray_index_descriptor const &d3, mdarray_index_descriptor const &d4, mdarray_index_descriptor const &d5, memory_t memory__=memory_t::host, std::string label__="")
	6D array with memory allocation. More...

	mdarray (T *ptr__, mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, std::string label__="")
	Wrap a pointer into 2D array. More...

	mdarray (T ptr__, T ptr_device__, mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, std::string label__="")

	mdarray (mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, memory_pool &mp__, std::string label__="")
	2D array with memory pool allocation. More...

	mdarray (T *ptr__, mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, std::string label__="")

	mdarray (T ptr__, T ptr_device__, mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, std::string label__="")

	mdarray (mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, memory_pool &mp__, std::string label__="")
	3D array with memory pool allocation. More...

	mdarray (T *ptr__, mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, mdarray_index_descriptor const &d3, std::string label__="")

	mdarray (T *ptr__, mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, mdarray_index_descriptor const &d3, mdarray_index_descriptor const &d4, std::string label__="")

	mdarray (T *ptr__, mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, mdarray_index_descriptor const &d3, mdarray_index_descriptor const &d4, mdarray_index_descriptor const &d5, std::string label__="")

	mdarray (mdarray< T, N > &&src)
	Move constructor. More...

mdarray< T, N > &	operator= (mdarray< T, N > &&src)
	Move assignment operator. More...

mdarray< T, N > &	operator= (std::function< T(void)> f__)

mdarray< T, N > &	operator= (std::function< T(index_type)> f__)

mdarray< T, N > &	operator= (std::function< T(index_type, index_type)> f__)

	~mdarray ()
	Destructor. More...

mdarray< T, N > &	allocate (memory_t memory__)
	Allocate memory for array. More...

mdarray< T, N > &	allocate (memory_pool &mp__)
	Allocate memory from the pool. More...

void	deallocate (memory_t memory__)
	Deallocate host or device memory. More...

T const &	operator() (Args... args) const
	Access operator() for the elements of multidimensional array. More...

T &	operator() (Args... args)
	Access operator() for the elements of multidimensional array. More...

T const &	operator[] (size_t const idx__) const
	Access operator[] for the elements of multidimensional array using a linear index in the range [0, size). More...

T &	operator[] (size_t const idx__)
	Access operator[] for the elements of multidimensional array using a linear index in the range [0, size). More...

T const *	at (memory_t mem__, Args... args) const

T *	at (memory_t mem__, Args... args)

T const *	at (memory_t mem__) const
	Return pointer to the beginning of array. More...

T *	at (memory_t mem__)
	Return pointer to the beginning of array. More...

T *	host_data ()

const T *	host_data () const

T *	device_data ()

const T *	device_data () const

size_t	size () const
	Return total size (number of elements) of the array. More...

size_t	size (int i) const
	Return size of particular dimension. More...

mdarray_index_descriptor	dim (int i) const
	Return a descriptor of a dimension. More...

uint32_t	ld () const
	Return leading dimension size. More...

uint64_t	hash (uint64_t h__=5381) const
	Compute hash of the array. More...

T	checksum_w (size_t idx0__, size_t size__) const
	Compute weighted checksum. More...

T	checksum (size_t idx0__, size_t size__) const
	Compute checksum. More...

T	checksum () const

T *	begin ()

T const *	begin () const

T *	end ()

T const *	end () const

void	zero (memory_t mem__, size_t idx0__, size_t n__)
	Zero n elements starting from idx0. More...

void	zero (memory_t mem__=memory_t::host)
	Zero the entire array. More...

void	copy_to (memory_t mem__, size_t idx0__, size_t n__, acc::stream_id sid=acc::stream_id(-1))
	Copy n elements starting from idx0 from one memory type to another. More...

void	copy_to (memory_t mem__, acc::stream_id sid=acc::stream_id(-1))
	Copy entire array from one memory type to another. More...

bool	on_device () const
	Check if device pointer is available. More...

auto	label () const

bool	on_host () const

Private Member Functions
void	init ()

	dmatrix (dmatrix< T > const &src)=delete

dmatrix< T > &	operator= (dmatrix< T > const &src)=delete

Private Attributes
int	num_rows_ {0}
	Global number of matrix rows. More...

int	num_cols_ {0}
	Global number of matrix columns. More...

int	bs_row_ {0}
	Row block size. More...

int	bs_col_ {0}
	Column block size. More...

BLACS_grid const *	blacs_grid_ {nullptr}
	BLACS grid. More...

sirius::splindex_block_cyclic	spl_row_
	Split index of matrix rows. More...

sirius::splindex_block_cyclic	spl_col_
	Split index of matrix columns. More...

ftn_int	descriptor_ [9]
	ScaLAPACK matrix descriptor. More...

spla::MatrixDistribution	spla_dist_ {spla::MatrixDistribution::create_mirror(MPI_COMM_SELF)}
	Matrix distribution used for SPLA library functions. More...

costa::grid_layout< T >	grid_layout_

Additional Inherited Members
Public Types inherited from sirius::sddk::mdarray< T, 2 >
using	index_type = mdarray_index_descriptor::index_type

Detailed Description

template<typename T>
class sirius::la::dmatrix< T >

Distributed matrix.

Definition at line 55 of file dmatrix.hpp.

Constructor & Destructor Documentation

◆ dmatrix() [1/7]

template<typename T >

sirius::la::dmatrix< T >::dmatrix ( )

inline

Definition at line 108 of file dmatrix.hpp.

◆ dmatrix() [2/7]

template<typename T >

sirius::la::dmatrix< T >::dmatrix	(	int	num_rows__,
		int	num_cols__,
		BLACS_grid const &	blacs_grid__,
		int	bs_row__,
		int	bs_col__,
		sddk::memory_t	mem_type__ = `sddk::memory_t::host`
	)

Definition at line 32 of file dmatrix.cpp.

◆ dmatrix() [3/7]

template<typename T >

sirius::la::dmatrix< T >::dmatrix	(	int	num_rows__,
		int	num_cols__,
		sddk::memory_t	mem_type__ = `sddk::memory_t::host`
	)

Definition at line 75 of file dmatrix.cpp.

◆ dmatrix() [4/7]

template<typename T >

sirius::la::dmatrix< T >::dmatrix	(	int	num_rows__,
		int	num_cols__,
		sddk::memory_pool &	mp__,
		std::string const &	label__ = `""`
	)

Definition at line 87 of file dmatrix.cpp.

◆ dmatrix() [5/7]

template<typename T >

sirius::la::dmatrix< T >::dmatrix	(	T *	ptr__,
		int	num_rows__,
		int	num_cols__,
		BLACS_grid const &	blacs_grid__,
		int	bs_row__,
		int	bs_col__
	)

Definition at line 53 of file dmatrix.cpp.

◆ dmatrix() [6/7]

template<typename T >

sirius::la::dmatrix< T >::dmatrix	(	int	num_rows__,
		int	num_cols__,
		BLACS_grid const &	blacs_grid__,
		int	bs_row__,
		int	bs_col__,
		sddk::memory_pool &	mp__
	)

Definition at line 113 of file dmatrix.cpp.

◆ dmatrix() [7/7]

template<typename T >

sirius::la::dmatrix< T >::dmatrix	(	T *	ptr__,
		int	num_rows__,
		int	num_cols__
	)

Definition at line 100 of file dmatrix.cpp.

Member Function Documentation

◆ init()

template<typename T >

void sirius::la::dmatrix< T >::init ( )

inlineprivate

Definition at line 87 of file dmatrix.hpp.

◆ size()

template<typename T >

int sirius::la::dmatrix< T >::size ( ) const

inline

Return size of the square matrix or -1 in case of rectangular matrix.

Definition at line 131 of file dmatrix.hpp.

◆ size_local()

template<typename T >

int sirius::la::dmatrix< T >::size_local ( ) const

inline

Definition at line 139 of file dmatrix.hpp.

◆ num_rows()

template<typename T >

int sirius::la::dmatrix< T >::num_rows ( ) const

inline

Return number of rows in the global matrix.

Definition at line 145 of file dmatrix.hpp.

◆ num_rows_local() [1/2]

template<typename T >

int sirius::la::dmatrix< T >::num_rows_local ( ) const

inline

Return local number of rows for this MPI rank.

Definition at line 151 of file dmatrix.hpp.

◆ num_rows_local() [2/2]

template<typename T >

int sirius::la::dmatrix< T >::num_rows_local ( int rank ) const

inline

Return local number of rows for a given MPI rank.

Definition at line 157 of file dmatrix.hpp.

◆ irow()

template<typename T >

int sirius::la::dmatrix< T >::irow ( int irow_loc ) const

inline

Return global row index in the range [0, num_rows) by the local index in the range [0, num_rows_local).

Definition at line 163 of file dmatrix.hpp.

◆ num_cols()

template<typename T >

int sirius::la::dmatrix< T >::num_cols ( ) const

inline

Definition at line 168 of file dmatrix.hpp.

◆ num_cols_local() [1/2]

template<typename T >

int sirius::la::dmatrix< T >::num_cols_local ( ) const

inline

Local number of columns.

Definition at line 174 of file dmatrix.hpp.

◆ num_cols_local() [2/2]

template<typename T >

int sirius::la::dmatrix< T >::num_cols_local ( int rank ) const

inline

Definition at line 179 of file dmatrix.hpp.

◆ icol()

template<typename T >

int sirius::la::dmatrix< T >::icol ( int icol_loc ) const

inline

Inindex of column in global matrix.

Definition at line 185 of file dmatrix.hpp.

◆ descriptor()

template<typename T >

int const * sirius::la::dmatrix< T >::descriptor ( ) const

inline

Definition at line 190 of file dmatrix.hpp.

◆ spla_distribution()

template<typename T >

spla::MatrixDistribution & sirius::la::dmatrix< T >::spla_distribution ( )

inline

Definition at line 195 of file dmatrix.hpp.

◆ copy_to()

template<typename T >

void sirius::la::dmatrix< T >::copy_to	(	sddk::memory_t	mem__,
		int	ir0__,
		int	ic0__,
		int	nr__,
		int	nc__
	)

inline

Definition at line 223 of file dmatrix.hpp.

◆ set() [1/2]

template<typename T >

void sirius::la::dmatrix< T >::set	(	int	ir0__,
		int	jc0__,
		int	mr__,
		int	nc__,
		T *	ptr__,
		int	ld__
	)

Definition at line 134 of file dmatrix.cpp.

◆ set() [2/2]

template<typename T >

void sirius::la::dmatrix< T >::set	(	const int	irow_glob,
		const int	icol_glob,
		T	val
	)

Definition at line 169 of file dmatrix.cpp.

◆ add() [1/2]

template<typename T >

void sirius::la::dmatrix< T >::add	(	const int	irow_glob,
		const int	icol_glob,
		T	val
	)

Definition at line 185 of file dmatrix.cpp.

◆ add() [2/2]

template<typename T >

void sirius::la::dmatrix< T >::add	(	real_type< T >	beta__,
		const int	irow_glob,
		const int	icol_glob,
		T	val
	)

Definition at line 197 of file dmatrix.cpp.

◆ make_real_diag()

template<typename T >

void sirius::la::dmatrix< T >::make_real_diag ( int n__ )

Definition at line 209 of file dmatrix.cpp.

◆ get_diag()

template<typename T >

sddk::mdarray< T, 1 > sirius::la::dmatrix< T >::get_diag ( int n__ )

Definition at line 224 of file dmatrix.cpp.

◆ spl_col()

template<typename T >

auto const & sirius::la::dmatrix< T >::spl_col ( ) const

inline

Definition at line 270 of file dmatrix.hpp.

◆ spl_row()

template<typename T >

auto const & sirius::la::dmatrix< T >::spl_row ( ) const

inline

Definition at line 275 of file dmatrix.hpp.

◆ rank_row()

template<typename T >

int sirius::la::dmatrix< T >::rank_row ( ) const

inline

Definition at line 280 of file dmatrix.hpp.

◆ num_ranks_row()

template<typename T >

int sirius::la::dmatrix< T >::num_ranks_row ( ) const

inline

Definition at line 285 of file dmatrix.hpp.

◆ rank_col()

template<typename T >

int sirius::la::dmatrix< T >::rank_col ( ) const

inline

Definition at line 290 of file dmatrix.hpp.

◆ num_ranks_col()

template<typename T >

int sirius::la::dmatrix< T >::num_ranks_col ( ) const

inline

Definition at line 295 of file dmatrix.hpp.

◆ bs_row()

template<typename T >

int sirius::la::dmatrix< T >::bs_row ( ) const

inline

Row blocking factor.

Definition at line 301 of file dmatrix.hpp.

◆ bs_col()

template<typename T >

int sirius::la::dmatrix< T >::bs_col ( ) const

inline

Column blocking factor.

Definition at line 307 of file dmatrix.hpp.

◆ blacs_grid()

template<typename T >

auto const & sirius::la::dmatrix< T >::blacs_grid ( ) const

inline

Definition at line 312 of file dmatrix.hpp.

◆ save_to_hdf5()

template<typename T >

void sirius::la::dmatrix< T >::save_to_hdf5	(	std::string	name__,
		int	m__,
		int	n__
	)

Definition at line 243 of file dmatrix.cpp.

◆ get_full_matrix()

template<typename T >

auto sirius::la::dmatrix< T >::get_full_matrix ( ) const

inline

Definition at line 320 of file dmatrix.hpp.

◆ serialize_to_json()

template<typename T >

nlohmann::json sirius::la::dmatrix< T >::serialize_to_json	(	int	m__,
		int	n__
	)		const

inline

Definition at line 336 of file dmatrix.hpp.

◆ serialize()

template<typename T >

std::stringstream sirius::la::dmatrix< T >::serialize	(	std::string	name__,
		int	m__,
		int	n__
	)		const

inline

Definition at line 360 of file dmatrix.hpp.

◆ checksum()

template<typename T >

T sirius::la::dmatrix< T >::checksum	(	int	m__,
		int	n__
	)		const

inline

Definition at line 389 of file dmatrix.hpp.

◆ comm()

template<typename T >

auto const & sirius::la::dmatrix< T >::comm ( ) const

inline

Definition at line 414 of file dmatrix.hpp.

◆ grid_layout() [1/2]

template<typename T >

costa::grid_layout< T > & sirius::la::dmatrix< T >::grid_layout ( )

inline

Definition at line 423 of file dmatrix.hpp.

◆ grid_layout() [2/2]

template<typename T >

costa::grid_layout< T > sirius::la::dmatrix< T >::grid_layout	(	int	irow0__,
		int	jcol0__,
		int	mrow__,
		int	ncol__
	)

inline

Definition at line 428 of file dmatrix.hpp.

Member Data Documentation

◆ num_rows_

template<typename T >

int sirius::la::dmatrix< T >::num_rows_ {0}

private

Global number of matrix rows.

Definition at line 59 of file dmatrix.hpp.

◆ num_cols_

template<typename T >

int sirius::la::dmatrix< T >::num_cols_ {0}

private

Global number of matrix columns.

Definition at line 62 of file dmatrix.hpp.

◆ bs_row_

template<typename T >

int sirius::la::dmatrix< T >::bs_row_ {0}

private

Row block size.

Definition at line 65 of file dmatrix.hpp.

◆ bs_col_

template<typename T >

int sirius::la::dmatrix< T >::bs_col_ {0}

private

Column block size.

Definition at line 68 of file dmatrix.hpp.

◆ blacs_grid_

template<typename T >

BLACS_grid const* sirius::la::dmatrix< T >::blacs_grid_ {nullptr}

private

BLACS grid.

Definition at line 71 of file dmatrix.hpp.

◆ spl_row_

template<typename T >

sirius::splindex_block_cyclic sirius::la::dmatrix< T >::spl_row_

private

Split index of matrix rows.

Definition at line 74 of file dmatrix.hpp.

◆ spl_col_

template<typename T >

sirius::splindex_block_cyclic sirius::la::dmatrix< T >::spl_col_

private

Split index of matrix columns.

Definition at line 77 of file dmatrix.hpp.

◆ descriptor_

template<typename T >

ftn_int sirius::la::dmatrix< T >::descriptor_[9]

private

ScaLAPACK matrix descriptor.

Definition at line 80 of file dmatrix.hpp.

◆ spla_dist_

template<typename T >

spla::MatrixDistribution sirius::la::dmatrix< T >::spla_dist_ {spla::MatrixDistribution::create_mirror(MPI_COMM_SELF)}

private

Matrix distribution used for SPLA library functions.

Definition at line 83 of file dmatrix.hpp.

◆ grid_layout_

template<typename T >

costa::grid_layout<T> sirius::la::dmatrix< T >::grid_layout_

private

Definition at line 85 of file dmatrix.hpp.

The documentation for this class was generated from the following files:

Public Member Functions

Private Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ dmatrix() [1/7]

◆ dmatrix() [2/7]

◆ dmatrix() [3/7]

◆ dmatrix() [4/7]

◆ dmatrix() [5/7]

◆ dmatrix() [6/7]

◆ dmatrix() [7/7]

Member Function Documentation

◆ init()

◆ size()

◆ size_local()

◆ num_rows()

◆ num_rows_local() [1/2]

◆ num_rows_local() [2/2]

◆ irow()

◆ num_cols()

◆ num_cols_local() [1/2]

◆ num_cols_local() [2/2]

◆ icol()

◆ descriptor()

◆ spla_distribution()

◆ copy_to()

◆ set() [1/2]

◆ set() [2/2]

◆ add() [1/2]

◆ add() [2/2]

◆ make_real_diag()

◆ get_diag()

◆ spl_col()

◆ spl_row()

◆ rank_row()

◆ num_ranks_row()

◆ rank_col()

◆ num_ranks_col()

◆ bs_row()

◆ bs_col()

◆ blacs_grid()

◆ save_to_hdf5()

◆ get_full_matrix()

◆ serialize_to_json()

◆ serialize()

◆ checksum()

◆ comm()

◆ grid_layout() [1/2]

◆ grid_layout() [2/2]

Member Data Documentation

◆ num_rows_

◆ num_cols_

◆ bs_row_

◆ bs_col_

◆ blacs_grid_

◆ spl_row_

◆ spl_col_

◆ descriptor_

◆ spla_dist_

◆ grid_layout_