scalapackdiagonalizer_module Module Reference

Diagonalizer type using ScaLAPACK backend. More...

Data Types
type	scalapackdiagonalizer

Functions/Subroutines
subroutine	diagonalize_scalapack (this, matrix_elements, num_eigenpair, dresult, all_procs, option, integrals)
subroutine	diagonalize_backend_scalapack (this, matrix_elements, num_eigenpair, z_mat, w, all_procs, option, integrals)
subroutine	process_solution (this, matrix_elements, num_eigenpair, z_mat, w, dresult, all_procs, option, integrals)

Detailed Description

Diagonalizer type using ScaLAPACK backend.

Authors

A Al-Refaie

Date

2017

This module will be built only if ScaLAPACK is available. Uses the ScaLAPACK routine pdsyevd and several supporting ScaLAPACK and BLACS routines. Uses a compile-time macro for the BLAS/LAPACK integer, which is long integer by default, or controllable by the compiler flags -Dblas64int/-Dblas32int.

Note

16/01/2019 - Jakub Benda: Unifom coding style and expanded documentation.

Function/Subroutine Documentation

diagonalize_backend_scalapack()

subroutine scalapackdiagonalizer_module::diagonalize_backend_scalapack ( class(scalapackdiagonalizer)  this, class(scalapackmatrix), intent(in)  matrix_elements, integer, intent(in)  num_eigenpair, real(wp), dimension(:,:), intent(inout), allocatable  z_mat, real(wp), dimension(:), intent(inout), allocatable  w, logical, intent(in)  all_procs, type(options), intent(in)  option, class(baseintegral), intent(in)  integrals  )

private

Definition at line 90 of file SCALAPACKDiagonalizer_module.f90.

diagonalize_scalapack()

subroutine scalapackdiagonalizer_module::diagonalize_scalapack ( class(scalapackdiagonalizer)  this, class(basematrix), intent(in)  matrix_elements, integer, intent(in)  num_eigenpair, class(diagonalizerresult)  dresult, logical, intent(in)  all_procs, type(options), intent(in)  option, class(baseintegral), intent(in)  integrals  )

private

Definition at line 63 of file SCALAPACKDiagonalizer_module.f90.

process_solution()

subroutine scalapackdiagonalizer_module::process_solution ( class(scalapackdiagonalizer)  this, class(scalapackmatrix), intent(in)  matrix_elements, integer, intent(in)  num_eigenpair, real(wp), dimension(:,:), intent(inout), allocatable  z_mat, real(wp), dimension(:), intent(inout), allocatable  w, class(diagonalizerresult)  dresult, logical, intent(in)  all_procs, type(options), intent(in)  option, class(baseintegral), intent(in)  integrals  )

private

Definition at line 163 of file SCALAPACKDiagonalizer_module.f90.