Array handler between a distributed array (left), typically one held on disk, and a contiguous array (right), e.g. std::vector or Span. More...

#include <ArrayHandlerDDiskIterable.h>

Inheritance diagram for molpro::linalg::array::ArrayHandlerDDiskIterable< AL, AR >:

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Collaboration diagram for molpro::linalg::array::ArrayHandlerDDiskIterable< AL, AR >:

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Detailed Description

template<class AL, class AR>
class molpro::linalg::array::ArrayHandlerDDiskIterable< AL, AR >

Array handler between a distributed array (left), typically one held on disk, and a contiguous array (right), e.g. std::vector or Span.

This is ArrayHandlerIterableDDisk the other way round, see there for how the arrays are accessed.

A new distributed array made as a copy of a contiguous one is created by a copy function. By default, this is AL::CreateTempCopy() on molpro::mpi::comm_self(), because the contiguous array is not distributed, optionally with a directory for the file.

Public Member Functions
	ArrayHandlerDDiskIterable ()
	New arrays are created by AL::CreateTempCopy() on molpro::mpi::comm_self(), with any file in its default location.

	ArrayHandlerDDiskIterable (const std::string &directory)
	New arrays are created by AL::CreateTempCopy() on molpro::mpi::comm_self(), with any file in directory.

	ArrayHandlerDDiskIterable (std::function< AL(const AR &)> copy_func)
	Constructor taking a copy function, which returns a new distributed array as a copy of a contiguous one.

ProxyHandle	lazy_handle () override
	Returns a lazy handle. Most implementations simply need to call the overload: return lazy_handle(*this);.

void	copy (AL &x, const AR &y) override
	Copy content of y into x.

void	scal (value_type alpha, AL &x) override

void	fill (value_type alpha, AL &x) override

void	axpy (value_type alpha, const AR &x, AL &y) override

value_type	dot (const AL &x, const AR &y) override
	The hermitian inner product <x\|y>: conjugate-linear in `x`, linear in `y`.

void	gemm_outer (const Matrix< value_type > alphas, const CVecRef< AR > &xx, const VecRef< AL > &yy) override

Matrix< value_type >	gemm_inner (const CVecRef< AL > &xx, const CVecRef< AR > &yy) override

std::map< size_t, value_type_abs >	select_max_dot (size_t n, const AL &x, const AR &y) override
	Select n indices with largest by absolute value contributions to the dot product.

std::map< size_t, value_type >	select (size_t n, const AL &x, bool max=false, bool ignore_sign=false) override
	Select n indices with largest (or smallest) actual (or absolute) value.

Public Member Functions inherited from molpro::linalg::array::ArrayHandlerWithCopyFunc< AL, AR >
	ArrayHandlerWithCopyFunc (copy_func_type copy_func)
	Constructor taking a copy function.

AL	copy (const AR &source) override

Public Member Functions inherited from molpro::linalg::array::ArrayHandler< AL, AR >
const Counter &	counter () const

std::string	counter_to_string (std::string L, std::string R)

void	clear_counter ()

virtual	~ArrayHandler ()
	Destroys ArrayHandler instance and invalidates any LazyHandler it created. Invalidated handler will not evaluate.

Additional Inherited Members
Public Types inherited from molpro::linalg::array::ArrayHandlerWithCopyFunc< AL, AR >
using	copy_func_type = std::function< AL(const AR &)>

Public Types inherited from molpro::linalg::array::ArrayHandler< AL, AR >
using	value_type_L = typename array::mapped_or_value_type_t< AL >

using	value_type_R = typename array::mapped_or_value_type_t< AR >

using	value_type = decltype(value_type_L{} *value_type_R{})

using	value_type_abs = decltype(check_abs< value_type >())

Protected Member Functions inherited from molpro::linalg::array::ArrayHandler< AL, AR >
	ArrayHandler ()

	ArrayHandler (const ArrayHandler &)=default

virtual void	error (const std::string &message)
	Throws an error.

virtual void	fused_axpy (const std::vector< std::tuple< size_t, size_t, size_t > > &reg, const std::vector< value_type > &alphas, const std::vector< std::reference_wrapper< const AR > > &xx, std::vector< std::reference_wrapper< AL > > &yy)
	Default implementation of fused_axpy without any simplification.

virtual void	fused_dot (const std::vector< std::tuple< size_t, size_t, size_t > > &reg, const std::vector< std::reference_wrapper< const AL > > &xx, const std::vector< std::reference_wrapper< const AR > > &yy, std::vector< std::reference_wrapper< value_type > > &out)
	Default implementation of fused_dot without any simplification.

void	save_handle (const std::shared_ptr< LazyHandle > &handle)
	Save weak ptr to a lazy handle.

ProxyHandle	lazy_handle (ArrayHandler< AL, AR > &handler)

Protected Attributes inherited from molpro::linalg::array::ArrayHandlerWithCopyFunc< AL, AR >
copy_func_type	m_copy_func
	function for making a copy

Protected Attributes inherited from molpro::linalg::array::ArrayHandler< AL, AR >
std::unique_ptr< Counter >	m_counter

std::vector< std::weak_ptr< LazyHandle > >	m_lazy_handles
	keeps track of all created lazy handles

Constructor & Destructor Documentation

◆ ArrayHandlerDDiskIterable() [1/3]

template<class AL , class AR >

molpro::linalg::array::ArrayHandlerDDiskIterable< AL, AR >::ArrayHandlerDDiskIterable ( )

inline

New arrays are created by AL::CreateTempCopy() on molpro::mpi::comm_self(), with any file in its default location.

◆ ArrayHandlerDDiskIterable() [2/3]

template<class AL , class AR >

molpro::linalg::array::ArrayHandlerDDiskIterable< AL, AR >::ArrayHandlerDDiskIterable ( const std::string & directory )

inlineexplicit

New arrays are created by AL::CreateTempCopy() on molpro::mpi::comm_self(), with any file in directory.

◆ ArrayHandlerDDiskIterable() [3/3]

template<class AL , class AR >

molpro::linalg::array::ArrayHandlerDDiskIterable< AL, AR >::ArrayHandlerDDiskIterable ( std::function< AL(const AR &)> copy_func )

inline

Constructor taking a copy function, which returns a new distributed array as a copy of a contiguous one.

Member Function Documentation

◆ axpy()

template<class AL , class AR >

void molpro::linalg::array::ArrayHandlerDDiskIterable< AL, AR >::axpy	(	value_type	alpha,
		const AR &	x,
		AL &	y
	)

inlineoverridevirtual

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ copy()

template<class AL , class AR >

void molpro::linalg::array::ArrayHandlerDDiskIterable< AL, AR >::copy	(	AL &	x,
		const AR &	y
	)

inlineoverridevirtual

Copy content of y into x.

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ dot()

template<class AL , class AR >

value_type molpro::linalg::array::ArrayHandlerDDiskIterable< AL, AR >::dot	(	const AL &	x,
		const AR &	y
	)

inlineoverridevirtual

The hermitian inner product <x|y>: conjugate-linear in x, linear in y.

For a real element type this is the ordinary dot product; for a complex one the left argument is conjugated, so that dot(x, x) is real and non-negative and an overlap matrix built from it is hermitian rather than complex symmetric.

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ fill()

template<class AL , class AR >

void molpro::linalg::array::ArrayHandlerDDiskIterable< AL, AR >::fill	(	value_type	alpha,
		AL &	x
	)

inlineoverridevirtual

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ gemm_inner()

template<class AL , class AR >

Matrix< value_type > molpro::linalg::array::ArrayHandlerDDiskIterable< AL, AR >::gemm_inner	(	const CVecRef< AL > &	xx,
		const CVecRef< AR > &	yy
	)

inlineoverridevirtual

Perform dot() on multiple pairs of containers in an efficient manner

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ gemm_outer()

template<class AL , class AR >

void molpro::linalg::array::ArrayHandlerDDiskIterable< AL, AR >::gemm_outer	(	const Matrix< value_type >	alphas,
		const CVecRef< AR > &	xx,
		const VecRef< AL > &	yy
	)

inlineoverridevirtual

Perform axpy() on multiple pairs of containers in an efficient manner

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ lazy_handle()

template<class AL , class AR >

ProxyHandle molpro::linalg::array::ArrayHandlerDDiskIterable< AL, AR >::lazy_handle ( )

inlineoverridevirtual

Returns a lazy handle. Most implementations simply need to call the overload: return lazy_handle(*this);.

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ scal()

template<class AL , class AR >

void molpro::linalg::array::ArrayHandlerDDiskIterable< AL, AR >::scal	(	value_type	alpha,
		AL &	x
	)

inlineoverridevirtual

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ select()

template<class AL , class AR >

std::map< size_t, value_type > molpro::linalg::array::ArrayHandlerDDiskIterable< AL, AR >::select	(	size_t	n,
		const AL &	x,
		bool	max = `false`,
		bool	ignore_sign = `false`
	)

inlineoverridevirtual

Select n indices with largest (or smallest) actual (or absolute) value.

Parameters

n	number of indices to select
x	array to examine
max	If true, select largest values, otherwise smallest
ignore_sign	If true, consider std::abs() of elements

Returns: map of indices and corresponding values

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

◆ select_max_dot()

template<class AL , class AR >

std::map< size_t, value_type_abs > molpro::linalg::array::ArrayHandlerDDiskIterable< AL, AR >::select_max_dot	(	size_t	n,
		const AL &	x,
		const AR &	y
	)

inlineoverridevirtual

Select n indices with largest by absolute value contributions to the dot product.

This is necessary for perturbation theory.

Parameters

n	number of indices to select
x	left array
y	right array

Returns: map of indices and corresponding x,y product

Implements molpro::linalg::array::ArrayHandler< AL, AR >.

Detailed Description

Public Member Functions

Additional Inherited Members

Constructor & Destructor Documentation

◆ ArrayHandlerDDiskIterable() [1/3]

◆ ArrayHandlerDDiskIterable() [2/3]

◆ ArrayHandlerDDiskIterable() [3/3]

Member Function Documentation

◆ axpy()

◆ copy()

◆ dot()

◆ fill()

◆ gemm_inner()

◆ gemm_outer()

◆ lazy_handle()

◆ scal()

◆ select()

◆ select_max_dot()