ElpaScalapackOperations.h File Reference

#include "ProcessGrid.h"
#include "ScalapackWrapper.h"
#include <elpa/elpa.h>
#include <unordered_map>
#include <iostream>
#include "LinAlgOpContext.h"
#include <linearAlgebra/ElpaScalapackOperations.t.cpp>

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Namespaces
namespace	dftefe
	dealii includes
namespace	dftefe::linearAlgebra
namespace	dftefe::linearAlgebra::elpaScalaOpInternal

Functions
void	dftefe::linearAlgebra::elpaScalaOpInternal::setupELPAHandleParameters (const utils::mpi::MPIComm &mpi_communicator, utils::mpi::MPIComm &processGridCommunicatorActive, const std::shared_ptr< const ProcessGrid > &processGrid, const size_type na, const size_type nev, const size_type blockSize, elpa_t &elpaHandle, const bool useELPADeviceKernel=false)
	Contains internal functions used in linearAlgebra. More...
void	dftefe::linearAlgebra::elpaScalaOpInternal::createProcessGridSquareMatrix (const utils::mpi::MPIComm &mpi_communicator, const size_type size, std::shared_ptr< const ProcessGrid > &processGrid, const size_type scalapackParalProcs, const bool useELPA, const bool useOnlyThumbRule=false)
	Wrapper function to create a two dimensional processor grid for a square matrix in ScaLAPACKMatrix storage format. More...
void	dftefe::linearAlgebra::elpaScalaOpInternal::createProcessGridRectangularMatrix (const utils::mpi::MPIComm &mpi_communicator, const size_type sizeRows, const size_type sizeColumns, std::shared_ptr< const ProcessGrid > &processGrid)
	Wrapper function to create a two dimensional processor grid for a rectangular matrix in ScaLAPACKMatrix storage format. More...
template<typename T >
void	dftefe::linearAlgebra::elpaScalaOpInternal::createGlobalToLocalIdMapsScaLAPACKMat (const std::shared_ptr< const ProcessGrid > &processGrid, const ScaLAPACKMatrix< T > &mat, std::unordered_map< size_type, size_type > &globalToLocalRowIdMap, std::unordered_map< size_type, size_type > &globalToLocalColumnIdMap)
	Creates global row/column id to local row/column ids for ScaLAPACKMatrix. More...
template<typename T >
void	dftefe::linearAlgebra::elpaScalaOpInternal::scaleScaLAPACKMat (const std::shared_ptr< const ProcessGrid > &processGrid, ScaLAPACKMatrix< T > &mat, const T scalar)
	scale a ScaLAPACKMat with a scalar More...
template<typename T >
void	dftefe::linearAlgebra::elpaScalaOpInternal::fillParallelOverlapMatrix (const T *X, const size_type XLocalSize, const size_type numberVectors, const std::shared_ptr< const ProcessGrid > &processGrid, const utils::mpi::MPIComm &mpiComm, const size_type wfcBlockSize, ScaLAPACKMatrix< T > &overlapMatPar)
	Computes Sc=X^{T}*Xc and stores in a parallel ScaLAPACK matrix. X^{T} is the subspaceVectorsArray stored in the column major format (N x M). Sc is the overlapMatPar. More...
template<typename ValueType , typename utils::MemorySpace memorySpace>
void	dftefe::linearAlgebra::elpaScalaOpInternal::subspaceRotation (ValueType *X, const size_type M, const size_type N, const std::shared_ptr< const ProcessGrid > &processGrid, const utils::mpi::MPIComm &mpiCommDomain, LinAlgOpContext< memorySpace > &linAlgOpContext, const ScaLAPACKMatrix< ValueType > &rotationMatPar, const size_type subspaceRotDofsBlockSize, const size_type wfcBlockSize, const bool rotationMatTranspose=false, const bool isRotationMatLowerTria=false)
	Computes X^{T}=Q*X^{T} inplace. X^{T} is the subspaceVectorsArray stored in the column major format (N x M). Q is rotationMatPar (N x N). More...