Distributed array storing the buffer on disk using temporary local files. More...

#include <DistrArrayFile.h>

Inheritance diagram for molpro::linalg::array::DistrArrayFile:

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Collaboration diagram for molpro::linalg::array::DistrArrayFile:

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Detailed Description

Distributed array storing the buffer on disk using temporary local files.

On construction, file and corresponding stream object are created and file is then closed. On destruction, file is deleted.

Warning: Only local operations will be currently supported, if RMA operations are requested, exception will be thrown.

Examples: LinearEigensystemDistrArrayExample.cpp, and OptimizeDistrArrayExample.cpp.

Public Member Functions
	DistrArrayFile ()=delete
	returns local array boundaries and size

	DistrArrayFile (const DistrArrayFile &source)

	DistrArrayFile (DistrArrayFile &&source)

	DistrArrayFile (size_t dimension, MPI_Comm comm=molpro::mpi::comm_global(), const std::string &directory=".")

	DistrArrayFile (std::unique_ptr< Distribution > distribution, MPI_Comm comm=molpro::mpi::comm_global(), const std::string &directory=".")

	DistrArrayFile (const DistrArray &source)

DistrArrayFile &	operator= (const DistrArrayFile &source)=delete

DistrArrayFile &	operator= (DistrArrayFile &&source) noexcept

	~DistrArrayFile () override

bool	compatible (const DistrArrayFile &source) const

void	erase () override
	Dummy.

value_type	at (index_type ind) const override

void	set (index_type ind, value_type val) override
	Writes value at a given index.

void	get (index_type lo, index_type hi, value_type *buf) const override
	Reads requested values.

std::vector< value_type >	get (index_type lo, index_type hi) const override

void	put (index_type lo, index_type hi, const value_type *data) override
	Writes requested values to file.

void	acc (index_type lo, index_type hi, const value_type *data) override

std::vector< value_type >	gather (const std::vector< index_type > &indices) const override
	gets elements with discontinuous indices from array. Blocking

void	scatter (const std::vector< index_type > &indices, const std::vector< value_type > &data) override
	array[indices[i]] = data[i] Puts vals of elements with discontinuous indices of array. Blocking.

void	scatter_acc (std::vector< index_type > &indices, const std::vector< value_type > &data) override
	array[indices[i]] += vals[i] Accumulates vals of elements into discontinuous indices of array. Atomic, blocking, with on-sided communication

std::vector< value_type >	vec () const override
	Copies the whole buffer into a vector. Blocking.

Public Member Functions inherited from molpro::linalg::array::DistrArrayDisk
const Distribution &	distribution () const override
	Access distribution of the array among processes.

value_type	dot (const DistrArrayDisk &y) const

void	set_buffer_size (size_t buffer_size)

size_t	disk_page_size () const override

std::unique_ptr< LocalBuffer >	local_buffer () override
	Not available: an array on disk is not held in memory.

std::unique_ptr< const LocalBuffer >	local_buffer () const override
	Not available: an array on disk is not held in memory.

virtual value_type	dot (const DistrArray &y) const
	Scalar product of two arrays. Collective. Throws error if any array is empty. Both arrays should be part of the same processor group (same communicator). The result is broadcast to each process.

virtual value_type	dot (const SparseArray &y) const

Public Member Functions inherited from molpro::linalg::array::DistrArray
virtual	~DistrArray ()=default

	DistrArray (const DistrArray &)=default

	DistrArray (DistrArray &&) noexcept=default

DistrArray &	operator= (const DistrArray &)=default

DistrArray &	operator= (DistrArray &&) noexcept=default

MPI_Comm	communicator () const
	return a copy of the communicator

virtual void	sync () const
	Synchronizes all process in this group and ensures any outstanding operations on the array have completed.

size_t	size () const
	total number of elements, same as overall dimension of array

bool	compatible (const DistrArray &other) const
	Checks that arrays are of the same dimensionality.

virtual void	zero ()
	Set all local elements to zero.

virtual void	error (const std::string &message) const
	stops application with an error

value_type	operator[] (index_type ind) const

util::ValueProxy< DistrArray >	operator[] (index_type ind)

virtual void	fill (value_type val)

virtual void	copy (const DistrArray &y)

virtual void	copy_patch (const DistrArray &y, index_type start, index_type end)
	Copies elements in a patch of y. If both arrays are empty than does nothing. If only one is empty, throws an error.

virtual void	axpy (value_type a, const DistrArray &y)
	this[:] += a * y[:]. Throws an error if any array is empty. Add a multiple of another array to this one. Blocking, collective.

virtual void	axpy (value_type a, const SparseArray &y)

virtual void	scal (value_type a)
	Scale by a constant. Local.

virtual void	add (const DistrArray &y)
	Add another array to this. Local. Throws error if any array is empty.

virtual void	add (value_type a)
	Add a constant. Local.

virtual void	sub (const DistrArray &y)
	Subtract another array from this. Local. Throws error if any array is empty.

virtual void	sub (value_type a)
	Subtract a constant. Local.

virtual void	recip ()
	Take element-wise reciprocal of this. Local. No checks are made for zero values.

virtual void	times (const DistrArray &y)
	this[i] *= y[i]. Throws error if any array is empty.

virtual void	times (const DistrArray &y, const DistrArray &z)
	this[i] = y[i]*z[i]. Throws error if any array is empty.

void	divide (const DistrArray &y, const DistrArray &z, value_type shift=0, bool append=false, bool negative=false)
	this[i] = y[i]/(z[i]+shift). Collective. Throws error if any array is empty.

std::list< std::pair< index_type, value_type > >	min_n (int n) const
	returns n smallest elements in array x Collective operation, must be called by all processes in the group.

std::list< std::pair< index_type, value_type > >	max_n (int n) const
	returns n largest elements in array x Collective operation, must be called by all processes in the group.

std::list< std::pair< index_type, value_type > >	min_abs_n (int n) const
	returns n elements that are largest by absolute value in array x Collective operation, must be called by all processes in the group.

std::list< std::pair< index_type, value_type > >	max_abs_n (int n) const
	returns n elements that are largest by absolute value in array x Collective operation, must be called by all processes in the group.

std::vector< index_type >	min_loc_n (int n) const
	find the index of n smallest components in array x Collective operation, must be called by all processes in the group.

std::map< size_t, value_type >	select_max_dot (size_t n, const DistrArray &y) const

std::map< size_t, value_type >	select_max_dot (size_t n, const SparseArray &y) const

std::map< size_t, value_type >	select (size_t n, bool max=false, bool ignore_sign=false) const

Static Public Member Functions
static DistrArrayFile	CreateTempCopy (const DistrArray &source, const std::string &directory=".")

Friends
void	swap (DistrArrayFile &x, DistrArrayFile &y) noexcept

Additional Inherited Members
Public Types inherited from molpro::linalg::array::DistrArrayDisk
using	disk_array = void
	a compile time tag that this is a distributed disk array

Public Types inherited from molpro::linalg::array::DistrArray
using	distributed_array = void
	a compile time tag that this is a distributed array

using	value_type = double

using	index_type = size_t

using	SparseArray = std::map< index_type, double >

using	Distribution = util::Distribution< index_type >

Protected Member Functions inherited from molpro::linalg::array::DistrArrayDisk
	DistrArrayDisk (std::unique_ptr< Distribution > distr, MPI_Comm commun)

	DistrArrayDisk ()

	DistrArrayDisk (const DistrArray &source)

	DistrArrayDisk (DistrArrayDisk &&source) noexcept

	~DistrArrayDisk () override

	DistrArray (size_t dimension, MPI_Comm commun)
	Initializes array without allocating any memory.

	DistrArray ()=default

	DistrArray (const DistrArray &)=default

	DistrArray (DistrArray &&) noexcept=default

Protected Member Functions inherited from molpro::linalg::array::DistrArray
	DistrArray (size_t dimension, MPI_Comm commun)
	Initializes array without allocating any memory.

	DistrArray ()=default

virtual void	_divide (const DistrArray &y, const DistrArray &z, value_type shift, bool append, bool negative)

Protected Attributes inherited from molpro::linalg::array::DistrArrayDisk
bool	m_allocated = false
	Flags that the memory view buffer has been allocated.

std::unique_ptr< Distribution >	m_distribution
	describes distribution of array among processes

size_t	m_buffer_size = 8192
	buffer size for paged access via BufferManager

Protected Attributes inherited from molpro::linalg::array::DistrArray
index_type	m_dimension = 0
	number of elements in the array

MPI_Comm	m_communicator

Constructor & Destructor Documentation

◆ DistrArrayFile() [1/6]

molpro::linalg::array::DistrArrayFile::DistrArrayFile ( )

delete

returns local array boundaries and size

◆ DistrArrayFile() [2/6]

molpro::linalg::array::DistrArrayFile::DistrArrayFile ( const DistrArrayFile & source )

◆ DistrArrayFile() [3/6]

molpro::linalg::array::DistrArrayFile::DistrArrayFile ( DistrArrayFile && source )

◆ DistrArrayFile() [4/6]

molpro::linalg::array::DistrArrayFile::DistrArrayFile	(	size_t	dimension,
		MPI_Comm	comm = `molpro::mpi::comm_global()`,
		const std::string &	directory = `"."`
	)

explicit

◆ DistrArrayFile() [5/6]

molpro::linalg::array::DistrArrayFile::DistrArrayFile	(	std::unique_ptr< Distribution >	distribution,
		MPI_Comm	comm = `molpro::mpi::comm_global()`,
		const std::string &	directory = `"."`
	)

explicit

◆ DistrArrayFile() [6/6]

molpro::linalg::array::DistrArrayFile::DistrArrayFile ( const DistrArray & source )

explicit

◆ ~DistrArrayFile()

molpro::linalg::array::DistrArrayFile::~DistrArrayFile ( )

override

Member Function Documentation

◆ acc()

void molpro::linalg::array::DistrArrayFile::acc	(	DistrArray::index_type	lo,
		DistrArray::index_type	hi,
		const value_type *	data
	)

overridevirtual

Warning: below functions have to be implemented being pure virtuals, but will return exceptions taken we don't do collectives here

Implements molpro::linalg::array::DistrArray.

◆ at()

DistrArray::value_type molpro::linalg::array::DistrArrayFile::at ( DistrArray::index_type ind ) const

overridevirtual

Returns: element at given index

Implements molpro::linalg::array::DistrArray.

◆ compatible()

bool molpro::linalg::array::DistrArrayFile::compatible ( const DistrArrayFile & source ) const

◆ CreateTempCopy()

DistrArrayFile molpro::linalg::array::DistrArrayFile::CreateTempCopy	(	const DistrArray &	source,
		const std::string &	directory = `"."`
	)

static

◆ erase()

void molpro::linalg::array::DistrArrayFile::erase ( )

inlineoverridevirtual

Dummy.

Implements molpro::linalg::array::DistrArrayDisk.

◆ gather()

std::vector< DistrArrayFile::value_type > molpro::linalg::array::DistrArrayFile::gather ( const std::vector< index_type > & indices ) const

overridevirtual

gets elements with discontinuous indices from array. Blocking

Returns: res[i] = array[indices[i]]

Implements molpro::linalg::array::DistrArray.

◆ get() [1/2]

std::vector< DistrArrayFile::value_type > molpro::linalg::array::DistrArrayFile::get	(	DistrArray::index_type	lo,
		DistrArray::index_type	hi
	)		const

overridevirtual

Returns: a vector of values read from file

Implements molpro::linalg::array::DistrArray.

◆ get() [2/2]

void molpro::linalg::array::DistrArrayFile::get	(	DistrArray::index_type	lo,
		DistrArray::index_type	hi,
		DistrArray::value_type *	buf
	)		const

overridevirtual

Reads requested values.

Implements molpro::linalg::array::DistrArray.

◆ operator=() [1/2]

DistrArrayFile & molpro::linalg::array::DistrArrayFile::operator= ( const DistrArrayFile & source )

delete

◆ operator=() [2/2]

DistrArrayFile & molpro::linalg::array::DistrArrayFile::operator= ( DistrArrayFile && source )

noexcept

◆ put()

void molpro::linalg::array::DistrArrayFile::put	(	DistrArray::index_type	lo,
		DistrArray::index_type	hi,
		const value_type *	data
	)

overridevirtual

Writes requested values to file.

Implements molpro::linalg::array::DistrArray.

◆ scatter()

void molpro::linalg::array::DistrArrayFile::scatter	(	const std::vector< index_type > &	indices,
		const std::vector< value_type > &	data
	)

overridevirtual

array[indices[i]] = data[i] Puts vals of elements with discontinuous indices of array. Blocking.

Implements molpro::linalg::array::DistrArray.

◆ scatter_acc()

void molpro::linalg::array::DistrArrayFile::scatter_acc	(	std::vector< index_type > &	indices,
		const std::vector< value_type > &	data
	)

overridevirtual

array[indices[i]] += vals[i] Accumulates vals of elements into discontinuous indices of array. Atomic, blocking, with on-sided communication

Implements molpro::linalg::array::DistrArray.

◆ set()

void molpro::linalg::array::DistrArrayFile::set	(	DistrArray::index_type	ind,
		DistrArray::value_type	val
	)

overridevirtual

Writes value at a given index.

Implements molpro::linalg::array::DistrArray.

◆ vec()

std::vector< DistrArrayFile::value_type > molpro::linalg::array::DistrArrayFile::vec ( ) const

overridevirtual

Copies the whole buffer into a vector. Blocking.

Note: This is only meant for debugging small arrays!

Implements molpro::linalg::array::DistrArray.

Friends And Related Symbol Documentation

◆ swap

void swap	(	DistrArrayFile &	x,
		DistrArrayFile &	y
	)

friend

Detailed Description

Public Member Functions

Static Public Member Functions

Friends

Additional Inherited Members

Constructor & Destructor Documentation

◆ DistrArrayFile() [1/6]

◆ DistrArrayFile() [2/6]

◆ DistrArrayFile() [3/6]

◆ DistrArrayFile() [4/6]

◆ DistrArrayFile() [5/6]

◆ DistrArrayFile() [6/6]

◆ ~DistrArrayFile()

Member Function Documentation

◆ acc()

◆ at()

◆ compatible()

◆ CreateTempCopy()

◆ erase()

◆ gather()

◆ get() [1/2]

◆ get() [2/2]

◆ operator=() [1/2]

◆ operator=() [2/2]

◆ put()

◆ scatter()

◆ scatter_acc()

◆ set()

◆ vec()

Friends And Related Symbol Documentation

◆ swap