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dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace > Class Template Reference

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

#include <RayleighRitzEigenSolver.h>

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

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 = OperatorContext< ValueTypeOperator, ValueTypeOperand, memorySpace >
 

Public Member Functions

 RayleighRitzEigenSolver (const size_type eigenVectorBatchSize, const ElpaScalapackManager &elpaScala, std::shared_ptr< const utils::mpi::MPIPatternP2P< memorySpace > > mpiPatternP2P, std::shared_ptr< LinAlgOpContext< memorySpace > > linAlgOpContext, const bool useScalpack=true)
 Constructor. More...
 
 ~RayleighRitzEigenSolver ()=default
 Default Destructor. More...
 
EigenSolverError solve (const OpContext &A, MultiVector< ValueTypeOperand, memorySpace > &X, std::vector< RealType > &eigenValues, MultiVector< ValueType, memorySpace > &eigenVectors, bool computeEigenVectors=false)
 
EigenSolverError solve (const OpContext &A, const OpContext &B, MultiVector< ValueTypeOperand, memorySpace > &X, std::vector< RealType > &eigenValues, MultiVector< ValueType, memorySpace > &eigenVectors, bool computeEigenVectors=false)
 

Private Member Functions

void computeXTransOpX (MultiVector< ValueTypeOperand, memorySpace > &X, utils::MemoryStorage< ValueType, memorySpace > &S, const OpContext &Op, const bool &useBatched=true)
 
void computeXTransOpX (MultiVector< ValueTypeOperand, memorySpace > &X, const std::shared_ptr< const ProcessGrid > &processGrid, ScaLAPACKMatrix< ValueType > &overlapMatPar, const OpContext &Op)
 

Private Attributes

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
 
size_type d_batchSizeSmall
 
const size_type d_eigenVecBatchSize
 
const ElpaScalapackManagerd_elpaScala
 
const bool d_useELPA
 
const bool d_useScalapack
 

Detailed Description

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

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

Template Parameters
ValueTypeOperatorThe datatype (float, double, complex<double>, etc.) for the underlying operator
ValueTypeOperandThe datatype (float, double, complex<double>, etc.) of the vector, matrices, etc. on which the operator will act
memorySpaceThe 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::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::OpContext = OperatorContext<ValueTypeOperator, ValueTypeOperand, memorySpace>

◆ RealType

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
using dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::RealType = blasLapack::real_type<ValueType>

◆ ValueType

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
using dftefe::linearAlgebra::RayleighRitzEigenSolver< 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

◆ RayleighRitzEigenSolver()

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::RayleighRitzEigenSolver ( const size_type  eigenVectorBatchSize,
const ElpaScalapackManager elpaScala,
std::shared_ptr< const utils::mpi::MPIPatternP2P< memorySpace > >  mpiPatternP2P,
std::shared_ptr< LinAlgOpContext< memorySpace > >  linAlgOpContext,
const bool  useScalpack = true 
)

Constructor.

◆ ~RayleighRitzEigenSolver()

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::~RayleighRitzEigenSolver ( )
default

Default Destructor.

Member Function Documentation

◆ computeXTransOpX() [1/2]

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
void dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::computeXTransOpX ( MultiVector< ValueTypeOperand, memorySpace > &  X,
const std::shared_ptr< const ProcessGrid > &  processGrid,
ScaLAPACKMatrix< ValueType > &  overlapMatPar,
const OpContext Op 
)
private
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◆ computeXTransOpX() [2/2]

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
void dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::computeXTransOpX ( MultiVector< ValueTypeOperand, memorySpace > &  X,
utils::MemoryStorage< ValueType, memorySpace > &  S,
const OpContext Op,
const bool &  useBatched = true 
)
private
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◆ solve() [1/2]

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
EigenSolverError dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::solve ( const OpContext A,
const OpContext B,
MultiVector< ValueTypeOperand, memorySpace > &  X,
std::vector< RealType > &  eigenValues,
MultiVector< ValueType, memorySpace > &  eigenVectors,
bool  computeEigenVectors = false 
)
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◆ solve() [2/2]

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
EigenSolverError dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::solve ( const OpContext A,
MultiVector< ValueTypeOperand, memorySpace > &  X,
std::vector< RealType > &  eigenValues,
MultiVector< ValueType, memorySpace > &  eigenVectors,
bool  computeEigenVectors = false 
)
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Member Data Documentation

◆ d_batchSizeSmall

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
size_type dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_batchSizeSmall
private

◆ d_eigenVecBatchSize

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
const size_type dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_eigenVecBatchSize
private

◆ d_elpaScala

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
const ElpaScalapackManager* dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_elpaScala
private

◆ d_useELPA

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
const bool dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_useELPA
private

◆ d_useScalapack

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
const bool dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_useScalapack
private

◆ d_XinBatch

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
std::shared_ptr<MultiVector<ValueType, memorySpace> > dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_XinBatch
private

◆ d_XinBatchSmall

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
std::shared_ptr<MultiVector<ValueType, memorySpace> > dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_XinBatchSmall
private

◆ d_XoutBatch

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
std::shared_ptr<MultiVector<ValueType, memorySpace> > dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_XoutBatch
private

◆ d_XoutBatchSmall

template<typename ValueTypeOperator , typename ValueTypeOperand , utils::MemorySpace memorySpace>
std::shared_ptr<MultiVector<ValueType, memorySpace> > dftefe::linearAlgebra::RayleighRitzEigenSolver< ValueTypeOperator, ValueTypeOperand, memorySpace >::d_XoutBatchSmall
private

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