DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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Manager class for ELPA and ScaLAPACK. More...
#include <elpaScalaManager.h>
Public Member Functions | |
unsigned int | getScalapackBlockSize () const |
std::shared_ptr< const dftfe::ProcessGrid > | getProcessGridDftfeScalaWrapper () const |
void | processGridELPASetup (const unsigned int na, const dftParameters &dftParams) |
void | elpaDeallocateHandles (const dftParameters &dftParams) |
elpa_t & | getElpaHandle () |
elpa_t & | getElpaHandlePartialEigenVec () |
elpa_autotune_t & | getElpaAutoTuneHandle () |
const MPI_Comm & | getMPICommunicator () const |
Get relevant mpi communicator. | |
elpaScalaManager (const MPI_Comm &mpi_comm_replica) | |
Constructor. | |
~elpaScalaManager () | |
Destructor. | |
Public Attributes | |
MPI_Comm | d_mpi_communicator |
elpa_t | d_elpaHandle |
ELPA handle. | |
elpa_t | d_elpaHandlePartialEigenVec |
ELPA handle for partial eigenvectors of full proj ham. | |
elpa_autotune_t | d_elpaAutoTuneHandle |
ELPA autotune handle. | |
MPI_Comm | d_processGridCommunicatorActive |
processGrid mpi communicator | |
MPI_Comm | d_processGridCommunicatorActivePartial |
unsigned int | d_scalapackBlockSize |
ScaLAPACK distributed format block size. | |
std::shared_ptr< const dftfe::ProcessGrid > | d_processGridDftfeWrapper |
Manager class for ELPA and ScaLAPACK.
dftfe::elpaScalaManager::elpaScalaManager | ( | const MPI_Comm & | mpi_comm_replica | ) |
Constructor.
dftfe::elpaScalaManager::~elpaScalaManager | ( | ) |
Destructor.
void dftfe::elpaScalaManager::elpaDeallocateHandles | ( | const dftParameters & | dftParams | ) |
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const MPI_Comm & dftfe::elpaScalaManager::getMPICommunicator | ( | ) | const |
Get relevant mpi communicator.
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void dftfe::elpaScalaManager::processGridELPASetup | ( | const unsigned int | na, |
const dftParameters & | dftParams ) |
elpa_autotune_t dftfe::elpaScalaManager::d_elpaAutoTuneHandle |
ELPA autotune handle.
elpa_t dftfe::elpaScalaManager::d_elpaHandle |
ELPA handle.
elpa_t dftfe::elpaScalaManager::d_elpaHandlePartialEigenVec |
ELPA handle for partial eigenvectors of full proj ham.
MPI_Comm dftfe::elpaScalaManager::d_mpi_communicator |
MPI_Comm dftfe::elpaScalaManager::d_processGridCommunicatorActive |
processGrid mpi communicator
MPI_Comm dftfe::elpaScalaManager::d_processGridCommunicatorActivePartial |
std::shared_ptr<const dftfe::ProcessGrid> dftfe::elpaScalaManager::d_processGridDftfeWrapper |
unsigned int dftfe::elpaScalaManager::d_scalapackBlockSize |
ScaLAPACK distributed format block size.