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

#include <ArrayHandlerIterableDDisk.h>

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

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

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Detailed Description

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

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

The contiguous array holds all elements on every process, i.e. it is replicated, while each process works on its local section of the distributed array, reading it page by page through get() if it is on disk. The contiguous array is addressed in place. Operations that write into the contiguous array finish by replicating it over all processes. When the distributed array lives on a single process (e.g. molpro::mpi::comm_self()), there is no communication at all.

ArrayHandlerDDiskIterable handles the same pair of arrays the other way round.

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

AL	copy (const AR &source) override

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>, i.e. the conjugate of <y\|x>

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::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::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::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

Member Function Documentation

◆ axpy()

template<class AL , class AR >

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

inlineoverridevirtual

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

◆ copy() [1/2]

template<class AL , class AR >

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

inlineoverridevirtual

Copy content of y into x.

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

◆ copy() [2/2]

template<class AL , class AR >

AL molpro::linalg::array::ArrayHandlerIterableDDisk< AL, AR >::copy ( const AR & source )

inlineoverridevirtual

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

◆ dot()

template<class AL , class AR >

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

inlineoverridevirtual

The hermitian inner product <x|y>, i.e. the conjugate of <y|x>

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

◆ fill()

template<class AL , class AR >

void molpro::linalg::array::ArrayHandlerIterableDDisk< 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::ArrayHandlerIterableDDisk< 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::ArrayHandlerIterableDDisk< 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::ArrayHandlerIterableDDisk< 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::ArrayHandlerIterableDDisk< 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::ArrayHandlerIterableDDisk< 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::ArrayHandlerIterableDDisk< 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

Member Function Documentation

◆ axpy()

◆ copy() [1/2]

◆ copy() [2/2]

◆ dot()

◆ fill()

◆ gemm_inner()

◆ gemm_outer()

◆ lazy_handle()

◆ scal()

◆ select()

◆ select_max_dot()