MultiVector for product spaces: flat layout M × S × N where S = numSpaces, N = numVectorsPerSpace. More...

#include <MultiVectorProductSpace.h>

Inheritance diagram for dftefe::linearAlgebra::MultiVectorProductSpace< ValueType, memorySpace >:

Collaboration diagram for dftefe::linearAlgebra::MultiVectorProductSpace< ValueType, memorySpace >:

Public Member Functions
	MultiVectorProductSpace (std::shared_ptr< const utils::mpi::MPIPatternP2P< memorySpace > > mpiPatternP2P, std::shared_ptr< LinAlgOpContext< memorySpace > > linAlgOpContext, size_type numSpaces, size_type numVectorsPerSpace, ValueType initVal=utils::Types< ValueType >::zero)

	~MultiVectorProductSpace ()=default

size_type	numSpaces () const

size_type	numVectorsPerSpace () const

Public Member Functions inherited from dftefe::linearAlgebra::MultiVector< ValueType, memorySpace >
	MultiVector ()=default
	Default Constructor. More...

virtual	~MultiVector ()=default
	Default Destructor. More...

	MultiVector (const size_type size, const size_type numVectors, std::shared_ptr< LinAlgOpContext< memorySpace > > linAlgOpContext, const ValueType initVal=utils::Types< ValueType >::zero)
	Constructor for serial MultiVector with vector size, number of vectors and initial value arguments. More...

	MultiVector (std::unique_ptr< typename MultiVector< ValueType, memorySpace >::Storage > storage, size_type numVectors, std::shared_ptr< LinAlgOpContext< memorySpace > > linAlgOpContext)
	Constructor for a \serial MultiVector with a predefined MultiVector::Storage (i.e., utils::MemoryStorage). This constructor transfers the ownership of the input Storage to the MultiVector. This is useful when one does not want to allocate new memory and instead use memory allocated in the MultiVector::Storage (i.e., utils::MemoryStorage). The locallyOwnedSize, ghostSize, etc., are automatically set using the size of the input Storage object. More...

	MultiVector (std::shared_ptr< const utils::mpi::MPIPatternP2P< memorySpace > > mpiPatternP2P, std::shared_ptr< LinAlgOpContext< memorySpace > > linAlgOpContext, const size_type numVectors, const ValueType initVal=utils::Types< ValueType >::zero)
	Constructor for a distributed MultiVector based on an input MPIPatternP2P. More...

	MultiVector (std::shared_ptr< const utils::mpi::MPIPatternP2P< memorySpace > > mpiPatternP2P, std::shared_ptr< LinAlgOpContext< memorySpace > > linAlgOpContext, const size_type numVectors, const ValueType min, const ValueType max)
	Constructor for a distributed random MultiVector based on an input MPIPatternP2P. More...

	MultiVector (std::unique_ptr< typename MultiVector< ValueType, memorySpace >::Storage > &storage, std::shared_ptr< const utils::mpi::MPIPatternP2P< memorySpace > > mpiPatternP2P, std::shared_ptr< LinAlgOpContext< memorySpace > > linAlgOpContext, const size_type numVectors)
	Constructor for a distributed MultiVector with a predefined MultiVector::Storage (i.e., utils::MemoryStorage) and MPIPatternP2P. This constructor transfers the ownership of the input Storage to the MultiVector. This is useful when one does not want to allocate new memory and instead use memory allocated in the input MultiVector::Storage (i.e., utils::MemoryStorage). More...

	MultiVector (const std::pair< global_size_type, global_size_type > locallyOwnedRange, const std::vector< global_size_type > &ghostIndices, const utils::mpi::MPIComm &mpiComm, std::shared_ptr< LinAlgOpContext< memorySpace > > linAlgOpContext, const size_type numVectors, ValueType initVal=utils::Types< ValueType >::zero)
	Constructor for a \distributed MultiVector based on locally owned and ghost indices. More...

	MultiVector (const std::pair< global_size_type, global_size_type > locallyOwnedRange, const utils::mpi::MPIComm &mpiComm, std::shared_ptr< LinAlgOpContext< memorySpace > > linAlgOpContext, const size_type numVectors, const ValueType initVal=utils::Types< ValueType >::zero)
	Constructor for a special case of distributed MultiVector where none none of the processors have any ghost indices. More...

	MultiVector (const global_size_type globalSize, const utils::mpi::MPIComm &mpiComm, std::shared_ptr< LinAlgOpContext< memorySpace > > linAlgOpContext, const size_type numVectors, const ValueType initVal=utils::Types< ValueType >::zero)
	Constructor for a distributed MultiVector based on total number of global indices. The resulting MultiVector will not contain any ghost indices on any of the processors. Internally, the vector is divided to ensure as much equitable distribution across all the processors much as possible. More...

	MultiVector (const MultiVector &u)
	Copy constructor. More...

	MultiVector (const MultiVector &u, const ValueType initVal)
	Copy constructor with reinitialisation. More...

	MultiVector (MultiVector &&u) noexcept
	Move constructor. More...

MultiVector &	operator= (const MultiVector &u)
	Copy assignment operator. More...

MultiVector &	operator= (MultiVector &&u)
	Move assignment operator. More...

iterator	begin ()
	Return iterator pointing to the beginning of MultiVector data. More...

const_iterator	begin () const
	Return iterator pointing to the beginning of MultiVector data. More...

iterator	end ()
	Return iterator pointing to the end of MultiVector data. More...

const_iterator	end () const
	Return iterator pointing to the end of MultiVector data. More...

ValueType *	data ()
	Return the raw pointer to the MultiVector data. More...

const ValueType *	data () const
	Return the constant raw pointer to the MultiVector data. More...

void	setValue (const ValueType val)
	Set all entries of the MultiVector to a given value. More...

std::vector< double >	l2Norms () const
	Returns \( l_2 \) norms of all the \(N\) vectors in the MultiVector. More...

std::vector< double >	lInfNorms () const
	Returns \( l_{\inf} \) norms of all the \(N\) vectors in the MultiVector. More...

size_type	getNumberComponents () const
	Returns the nunber of vectors in this multi-vector. More...

void	updateGhostValues (const size_type communicationChannel=0)

void	accumulateAddLocallyOwned (const size_type communicationChannel=0)

void	updateGhostValuesBegin (const size_type communicationChannel=0)

void	updateGhostValuesEnd ()

void	accumulateAddLocallyOwnedBegin (const size_type communicationChannel=0)

void	accumulateAddLocallyOwnedEnd ()

bool	isCompatible (const MultiVector< ValueType, memorySpace > &rhs) const

std::shared_ptr< const utils::mpi::MPIPatternP2P< memorySpace > >	getMPIPatternP2P () const

std::shared_ptr< LinAlgOpContext< memorySpace > >	getLinAlgOpContext () const

global_size_type	globalSize () const

size_type	localSize () const

size_type	locallyOwnedSize () const

size_type	ghostSize () const

size_type	numVectors () const

Private Attributes
size_type	d_numSpaces

size_type	d_numVectorsPerSpace

Additional Inherited Members
Public Types inherited from dftefe::linearAlgebra::MultiVector< ValueType, memorySpace >
using	Storage = dftefe::utils::MemoryStorage< ValueType, memorySpace >

using	value_type = typename Storage::value_type

using	pointer = typename Storage::pointer

using	reference = typename Storage::reference

using	const_reference = typename Storage::const_reference

using	iterator = typename Storage::iterator

using	const_iterator = typename Storage::const_iterator

Protected Attributes inherited from dftefe::linearAlgebra::MultiVector< ValueType, memorySpace >
std::unique_ptr< Storage >	d_storage

std::shared_ptr< LinAlgOpContext< memorySpace > >	d_linAlgOpContext

VectorAttributes	d_vectorAttributes

size_type	d_localSize

global_size_type	d_globalSize

size_type	d_locallyOwnedSize

size_type	d_ghostSize

size_type	d_numVectors

std::unique_ptr< utils::mpi::MPICommunicatorP2P< ValueType, memorySpace > >	d_mpiCommunicatorP2P

std::shared_ptr< const utils::mpi::MPIPatternP2P< memorySpace > >	d_mpiPatternP2P

Detailed Description

template<typename ValueType, utils::MemorySpace memorySpace>
class dftefe::linearAlgebra::MultiVectorProductSpace< ValueType, memorySpace >

MultiVector for product spaces: flat layout M × S × N where S = numSpaces, N = numVectorsPerSpace.

The base MultiVector sees numVectors = S*N (Nflattened). Flat offset for DOF i, space s, orbital n: i*S*N + s*N + n.

Covers unpolarized (S=1) and non-collinear (S=2). For collinear (S=2) use MultiVectorProductSpaceBlocked instead.

Constructor & Destructor Documentation

◆ MultiVectorProductSpace()

template<typename ValueType , utils::MemorySpace memorySpace>

dftefe::linearAlgebra::MultiVectorProductSpace< ValueType, memorySpace >::MultiVectorProductSpace	(	std::shared_ptr< const utils::mpi::MPIPatternP2P< memorySpace > >	mpiPatternP2P,
		std::shared_ptr< LinAlgOpContext< memorySpace > >	linAlgOpContext,
		size_type	numSpaces,
		size_type	numVectorsPerSpace,
		ValueType	initVal = `utils::Types<ValueType>::zero`
	)