A derived class of OperatorContext to encapsulate the action of a discrete operator on vectors, matrices, etc. More...

#include <ChebyshevFilteredEigenSolver.h>

Inheritance diagram for dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >:

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Collaboration diagram for dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >:

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Public Types
using	ValueType = blasLapack::scalar_type< ValueTypeOperator, ValueTypeOperand >
	define ValueType as the superior (bigger set) of the ValueTypeOperator and ValueTypeOperand (e.g., between double and complex<double>, complex<double> is the bigger set) More...

using	RealType = blasLapack::real_type< ValueType >

using	OpContext = typename HermitianIterativeEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::OpContext

Public Member Functions
	ChebyshevFilteredEigenSolver (const double wantedSpectrumLowerBound, const double wantedSpectrumUpperBound, const double unWantedSpectrumUpperBound, const double polynomialDegree, const double illConditionTolerance, MultiVector< ValueTypeOperand, memorySpace > &eigenSubspaceGuess, const ElpaScalapackManager &elpaScala, bool isResidualChebyshevFilter=true, const size_type eigenVectorBatchSize=0, OrthogonalizationType orthoType=OrthogonalizationType::CHOLESKY_GRAMSCHMIDT, bool storeIntermediateSubspaces=false)
	Constructor. More...

	~ChebyshevFilteredEigenSolver ()=default
	Destructor. More...

void	reinit (const double wantedSpectrumLowerBound, const double wantedSpectrumUpperBound, const double unWantedSpectrumUpperBound, const double polynomialDegree, const double illConditionTolerance, MultiVector< ValueTypeOperand, memorySpace > &eigenSubspaceGuess)

EigenSolverError	solve (const OpContext &A, std::vector< RealType > &eigenValues, MultiVector< ValueType, memorySpace > &eigenVectors, bool computeEigenVectors=false, const OpContext &B=IdentityOperatorContext< ValueTypeOperator, ValueTypeOperand, memorySpace >(), const OpContext &BInv=IdentityOperatorContext< ValueTypeOperator, ValueTypeOperand, memorySpace >()) override

MultiVector< ValueType, memorySpace > &	getFilteredSubspace ()

MultiVector< ValueType, memorySpace > &	getOrthogonalizedFilteredSubspace ()

Private Attributes
double	d_wantedSpectrumLowerBound

double	d_wantedSpectrumUpperBound

double	d_unWantedSpectrumUpperBound

double	d_polynomialDegree

double	d_illConditionTolerance

MultiVector< ValueTypeOperand, memorySpace > *	d_eigenSubspaceGuess

const size_type	d_eigenVecBatchSize

const bool	d_storeIntermediateSubspaces

std::shared_ptr< MultiVector< ValueType, memorySpace > >	d_filteredSubspace

std::shared_ptr< MultiVector< ValueType, memorySpace > >	d_filteredSubspaceOrtho

std::shared_ptr< MultiVector< ValueType, memorySpace > >	d_XinBatchSmall

std::shared_ptr< MultiVector< ValueType, memorySpace > >	d_XinBatch

std::shared_ptr< MultiVector< ValueType, memorySpace > >	d_XoutBatchSmall

std::shared_ptr< MultiVector< ValueType, memorySpace > >	d_XoutBatch

std::shared_ptr< RayleighRitzEigenSolver< ValueTypeOperator, ValueType, memorySpace > >	d_rr

std::shared_ptr< OrthonormalizationFunctions< ValueTypeOperator, ValueType, memorySpace > >	d_ortho

utils::Profiler	d_p

const bool	d_isResidualChebyFilter

size_type	d_batchSizeSmall

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

bool	d_printL2Norms

OrthogonalizationType	d_orthoType

const ElpaScalapackManager *	d_elpaScala

Detailed Description

template<typename ValueTypeOperator, typename ValueTypeOperand, utils::MemorySpace memorySpace>
class dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >

A derived class of OperatorContext to encapsulate the action of a discrete operator on vectors, matrices, etc.

Template Parameters

ValueTypeOperator	The datatype (float, double, complex<double>, etc.) for the underlying operator
ValueTypeOperand	The datatype (float, double, complex<double>, etc.) of the vector, matrices, etc. on which the operator will act
memorySpace	The meory sapce (HOST, DEVICE, HOST_PINNED, etc.) in which the data of the operator and its operands reside

Member Typedef Documentation

◆ OpContext

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

using dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::OpContext = typename HermitianIterativeEigenSolver<ValueTypeOperator, ValueTypeOperand, memorySpace>::OpContext

◆ RealType

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

using dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::RealType = blasLapack::real_type<ValueType>

◆ ValueType

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

using dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::ValueType = blasLapack::scalar_type<ValueTypeOperator, ValueTypeOperand>

define ValueType as the superior (bigger set) of the ValueTypeOperator and ValueTypeOperand (e.g., between double and complex<double>, complex<double> is the bigger set)

Constructor & Destructor Documentation

◆ ChebyshevFilteredEigenSolver()

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::ChebyshevFilteredEigenSolver	(	const double	wantedSpectrumLowerBound,
		const double	wantedSpectrumUpperBound,
		const double	unWantedSpectrumUpperBound,
		const double	polynomialDegree,
		const double	illConditionTolerance,
		MultiVector< ValueTypeOperand, memorySpace > &	eigenSubspaceGuess,
		const ElpaScalapackManager &	elpaScala,
		bool	isResidualChebyshevFilter = `true`,
		const size_type	eigenVectorBatchSize = `0`,
		OrthogonalizationType	orthoType = `OrthogonalizationType::CHOLESKY_GRAMSCHMIDT`,
		bool	storeIntermediateSubspaces = `false`
	)

Constructor.

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◆ ~ChebyshevFilteredEigenSolver()

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::~ChebyshevFilteredEigenSolver ( )

default

Destructor.

Member Function Documentation

◆ getFilteredSubspace()

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

MultiVector< blasLapack::scalar_type< ValueTypeOperator, ValueTypeOperand >, memorySpace > & dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::getFilteredSubspace

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◆ getOrthogonalizedFilteredSubspace()

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

MultiVector< blasLapack::scalar_type< ValueTypeOperator, ValueTypeOperand >, memorySpace > & dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::getOrthogonalizedFilteredSubspace

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◆ reinit()

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

void dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::reinit	(	const double	wantedSpectrumLowerBound,
		const double	wantedSpectrumUpperBound,
		const double	unWantedSpectrumUpperBound,
		const double	polynomialDegree,
		const double	illConditionTolerance,
		MultiVector< ValueTypeOperand, memorySpace > &	eigenSubspaceGuess
	)

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◆ solve()

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

EigenSolverError dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::solve	(	const OpContext &	A,
		std::vector< RealType > &	eigenValues,
		MultiVector< ValueType, memorySpace > &	eigenVectors,
		bool	computeEigenVectors = `false`,
		const OpContext &	B = `IdentityOperatorContext<ValueTypeOperator, ValueTypeOperand, memorySpace>()`,
		const OpContext &	BInv = `IdentityOperatorContext<ValueTypeOperator, ValueTypeOperand, memorySpace>()`
	)

override

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Member Data Documentation

◆ d_batchSizeSmall

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

size_type dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_batchSizeSmall

private

◆ d_eigenSubspaceGuess

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

MultiVector<ValueTypeOperand, memorySpace>* dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_eigenSubspaceGuess

private

◆ d_eigenVecBatchSize

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

const size_type dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_eigenVecBatchSize

private

◆ d_elpaScala

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

const ElpaScalapackManager* dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_elpaScala

private

◆ d_filteredSubspace

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

std::shared_ptr<MultiVector<ValueType, memorySpace> > dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_filteredSubspace

private

◆ d_filteredSubspaceOrtho

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

std::shared_ptr<MultiVector<ValueType, memorySpace> > dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_filteredSubspaceOrtho

private

◆ d_illConditionTolerance

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

double dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_illConditionTolerance

private

◆ d_isResidualChebyFilter

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

const bool dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_isResidualChebyFilter

private

◆ d_mpiPatternP2P

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

std::shared_ptr<const utils::mpi::MPIPatternP2P<memorySpace> > dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_mpiPatternP2P

private

◆ d_ortho

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

std::shared_ptr< OrthonormalizationFunctions<ValueTypeOperator, ValueType, memorySpace> > dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_ortho

private

◆ d_orthoType

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

OrthogonalizationType dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_orthoType

private

◆ d_p

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

utils::Profiler dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_p

private

◆ d_polynomialDegree

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

double dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_polynomialDegree

private

◆ d_printL2Norms

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

bool dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_printL2Norms

private

◆ d_rr

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

std::shared_ptr< RayleighRitzEigenSolver<ValueTypeOperator, ValueType, memorySpace> > dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_rr

private

◆ d_storeIntermediateSubspaces

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

const bool dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_storeIntermediateSubspaces

private

◆ d_unWantedSpectrumUpperBound

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

double dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_unWantedSpectrumUpperBound

private

◆ d_wantedSpectrumLowerBound

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

double dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_wantedSpectrumLowerBound

private

◆ d_wantedSpectrumUpperBound

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

double dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_wantedSpectrumUpperBound

private

◆ d_XinBatch

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

std::shared_ptr<MultiVector<ValueType, memorySpace> > dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_XinBatch

private

◆ d_XinBatchSmall

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

std::shared_ptr<MultiVector<ValueType, memorySpace> > dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_XinBatchSmall

private

◆ d_XoutBatch

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

std::shared_ptr<MultiVector<ValueType, memorySpace> > dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_XoutBatch

private

◆ d_XoutBatchSmall

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>

std::shared_ptr<MultiVector<ValueType, memorySpace> > dftefe::linearAlgebra::ChebyshevFilteredEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_XoutBatchSmall

private

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

src/linearAlgebra/ChebyshevFilteredEigenSolver.h
src/linearAlgebra/ChebyshevFilteredEigenSolver.t.cpp

Public Types

Public Member Functions

Private Attributes

Detailed Description

Member Typedef Documentation

◆ OpContext

◆ RealType

◆ ValueType

Constructor & Destructor Documentation

◆ ChebyshevFilteredEigenSolver()

◆ ~ChebyshevFilteredEigenSolver()

Member Function Documentation

◆ getFilteredSubspace()

◆ getOrthogonalizedFilteredSubspace()

◆ reinit()

◆ solve()

Member Data Documentation

◆ d_batchSizeSmall

◆ d_eigenSubspaceGuess

◆ d_eigenVecBatchSize

◆ d_elpaScala

◆ d_filteredSubspace

◆ d_filteredSubspaceOrtho

◆ d_illConditionTolerance

◆ d_isResidualChebyFilter

◆ d_mpiPatternP2P

◆ d_ortho

◆ d_orthoType

◆ d_p

◆ d_polynomialDegree

◆ d_printL2Norms

◆ d_rr

◆ d_storeIntermediateSubspaces

◆ d_unWantedSpectrumUpperBound

◆ d_wantedSpectrumLowerBound

◆ d_wantedSpectrumUpperBound

◆ d_XinBatch

◆ d_XinBatchSmall

◆ d_XoutBatch

◆ d_XoutBatchSmall