cp_fm_elpa Module Reference

Wrapper for ELPA. More...

Functions/Subroutines
subroutine, public	initialize_elpa_library ()
	Initialize the ELPA library.
subroutine, public	finalize_elpa_library ()
	Finalize the ELPA library.
subroutine, public	set_elpa_kernel (requested_kernel)
	Sets the active ELPA kernel.
subroutine, public	set_elpa_qr (use_qr, use_qr_unsafe)
	Sets flags that determines if ELPA should try to use QR during diagonalization If use_qr = .TRUE., the QR step is performed only if the size of the input matrix is suitable. Check cp_fm_diag_elpa for further details.
subroutine, public	set_elpa_print (flag)
	Sets a flag that determines if additional information about the ELPA diagonalization should be printed when the diagonalization routine is called.
subroutine, public	cp_fm_diag_elpa (matrix, eigenvectors, eigenvalues)
	Driver routine to diagonalize a FM matrix with the ELPA library.

Variables
integer, dimension(1), parameter, public	elpa_kernel_ids = [-1]
character(len=14), dimension(1), parameter, public	elpa_kernel_names = ["AUTO"]
character(len=44), dimension(1), parameter, public	elpa_kernel_descriptions = ["Automatically selected kernel"]

Detailed Description

Wrapper for ELPA.

Author

Ole Schuett

Function/Subroutine Documentation

initialize_elpa_library()

subroutine, public cp_fm_elpa::initialize_elpa_library

Initialize the ELPA library.

Definition at line 176 of file cp_fm_elpa.F.

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finalize_elpa_library()

subroutine, public cp_fm_elpa::finalize_elpa_library

Finalize the ELPA library.

Definition at line 188 of file cp_fm_elpa.F.

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set_elpa_kernel()

subroutine, public cp_fm_elpa::set_elpa_kernel

(

integer, intent(in)

requested_kernel

)

Sets the active ELPA kernel.

Parameters

requested_kernel

one of the elpa_kernel_ids

Definition at line 200 of file cp_fm_elpa.F.

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set_elpa_qr()

subroutine, public cp_fm_elpa::set_elpa_qr	(	logical, intent(in)	use_qr,
		logical, intent(in)	use_qr_unsafe
	)

Sets flags that determines if ELPA should try to use QR during diagonalization If use_qr = .TRUE., the QR step is performed only if the size of the input matrix is suitable. Check cp_fm_diag_elpa for further details.

Parameters

use_qr	the logical flag
use_qr_unsafe	logical which determines if block size checks should be bypassed for some ELPA versions, potentially leading to incorrect eigenvalues

Definition at line 253 of file cp_fm_elpa.F.

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set_elpa_print()

subroutine, public cp_fm_elpa::set_elpa_print

(

logical, intent(in)

flag

)

Sets a flag that determines if additional information about the ELPA diagonalization should be printed when the diagonalization routine is called.

Parameters

flag	the logical flag

Definition at line 265 of file cp_fm_elpa.F.

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cp_fm_diag_elpa()

subroutine, public cp_fm_elpa::cp_fm_diag_elpa	(	type(cp_fm_type), intent(in)	matrix,
		type(cp_fm_type), intent(in)	eigenvectors,
		real(kind=dp), dimension(:), intent(out)	eigenvalues
	)

Driver routine to diagonalize a FM matrix with the ELPA library.

Parameters

matrix	the matrix that is diagonalized
eigenvectors	eigenvectors of the input matrix
eigenvalues	eigenvalues of the input matrix

Definition at line 277 of file cp_fm_elpa.F.

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Variable Documentation

elpa_kernel_ids

integer, dimension(1), parameter, public cp_fm_elpa::elpa_kernel_ids = [-1]

Definition at line 149 of file cp_fm_elpa.F.

elpa_kernel_names

character(len=14), dimension(1), parameter, public cp_fm_elpa::elpa_kernel_names = ["AUTO"]

Definition at line 150 of file cp_fm_elpa.F.

elpa_kernel_descriptions

character(len=44), dimension(1), parameter, public cp_fm_elpa::elpa_kernel_descriptions = ["Automatically selected kernel"]

Definition at line 151 of file cp_fm_elpa.F.