Stores information about G-vector partitioning between MPI ranks for the FFT transformation. More...

#include <gvec.hpp>

Public Member Functions
	Gvec_fft (Gvec const &gvec__, mpi::Communicator const &fft_comm__, mpi::Communicator const &comm_ortho_fft__)

mpi::Communicator const &	comm_fft () const
	Return FFT communicator. More...

mpi::Communicator const &	comm_ortho_fft () const
	Return a communicator that is orthogonal to the FFT communicator. More...

int	count (int rank__) const
	Local number of G-vectors in the FFT distribution for a given rank. More...

int	count () const
	Local number of G-vectors for FFT-friendly distribution for this rank. More...

int	zcol_count () const
	Return local number of z-columns. More...

auto const &	gvec_slab () const
	Represents a "fat" slab of G-vectors in the FFT-friendly distribution. More...

Gvec const &	gvec () const
	Return the original (not reshuffled) G-vector class. More...

auto	gkvec_cart (int igloc__) const
	Return the Cartesian coordinates of the local G-vector. More...

auto const &	gvec_array () const
	Return the full array of the local G-vector Cartesian coodinates. More...

template<typename T >
void	gather_pw_fft (std::complex< T > const f_pw_local__, std::complex< T > f_pw_fft__) const

template<typename T >
void	gather_pw_global (std::complex< T > const f_pw_fft__, std::complex< T > f_pw_global__) const

template<typename T >
void	scatter_pw_global (std::complex< T > const f_pw_global__, std::complex< T > f_pw_fft__) const

void	update_gkvec_cart ()
	Update Cartesian coordinates after a change in lattice vectors. More...

Private Member Functions
void	build_fft_distr ()

void	pile_gvec ()
	Stack together the G-vector slabs to make a larger ("fat") slab for a FFT driver. More...

Private Attributes
Gvec const &	gvec_
	Reference to the G-vector instance. More...

mpi::Communicator const &	comm_fft_
	Communicator for the FFT. More...

mpi::Communicator const &	comm_ortho_fft_
	Communicator which is orthogonal to FFT communicator. More...

mpi::block_data_descriptor	gvec_distr_fft_
	Distribution of G-vectors for FFT. More...

int	num_zcol_local_ {0}
	Local number of z-columns. More...

mpi::block_data_descriptor	gvec_fft_slab_
	Distribution of G-vectors inside FFT-friendly "fat" slab. More...

sddk::mdarray< int, 2 >	rank_map_
	Mapping of MPI ranks used to split G-vectors to a 2D grid. More...

sddk::mdarray< int, 2 >	gvec_array_
	Lattice coordinates of a local set of G-vectors. More...

sddk::mdarray< double, 2 >	gkvec_cart_array_
	Cartesian coordinaes of a local set of G+k-vectors. More...

Detailed Description

Stores information about G-vector partitioning between MPI ranks for the FFT transformation.

FFT driver works with a small communicator. G-vectors are distributed over the entire communicator which is larger than the FFT communicator. In order to transform the functions, G-vectors must be redistributed to the FFT-friendly "fat" slabs based on the FFT communicator size.

Definition at line 771 of file gvec.hpp.

Constructor & Destructor Documentation

◆ Gvec_fft()

sirius::fft::Gvec_fft::Gvec_fft	(	Gvec const &	gvec__,
		mpi::Communicator const &	fft_comm__,
		mpi::Communicator const &	comm_ortho_fft__
	)

Definition at line 642 of file gvec.cpp.

Member Function Documentation

◆ build_fft_distr()

void sirius::fft::Gvec_fft::build_fft_distr ( )

private

Definition at line 578 of file gvec.cpp.

◆ pile_gvec()

void sirius::fft::Gvec_fft::pile_gvec ( )

private

Stack together the G-vector slabs to make a larger ("fat") slab for a FFT driver.

Definition at line 599 of file gvec.cpp.

◆ comm_fft()

mpi::Communicator const & sirius::fft::Gvec_fft::comm_fft ( ) const

inline

Return FFT communicator.

Definition at line 811 of file gvec.hpp.

◆ comm_ortho_fft()

mpi::Communicator const & sirius::fft::Gvec_fft::comm_ortho_fft ( ) const

inline

Return a communicator that is orthogonal to the FFT communicator.

Definition at line 817 of file gvec.hpp.

◆ count() [1/2]

int sirius::fft::Gvec_fft::count ( int rank__ ) const

inline

Local number of G-vectors in the FFT distribution for a given rank.

Definition at line 823 of file gvec.hpp.

◆ count() [2/2]

int sirius::fft::Gvec_fft::count ( ) const

inline

Local number of G-vectors for FFT-friendly distribution for this rank.

Definition at line 829 of file gvec.hpp.

◆ zcol_count()

int sirius::fft::Gvec_fft::zcol_count ( ) const

inline

Return local number of z-columns.

Definition at line 835 of file gvec.hpp.

◆ gvec_slab()

auto const & sirius::fft::Gvec_fft::gvec_slab ( ) const

inline

Represents a "fat" slab of G-vectors in the FFT-friendly distribution.

Definition at line 841 of file gvec.hpp.

◆ gvec()

Gvec const & sirius::fft::Gvec_fft::gvec ( ) const

inline

Return the original (not reshuffled) G-vector class.

Definition at line 847 of file gvec.hpp.

◆ gkvec_cart()

auto sirius::fft::Gvec_fft::gkvec_cart ( int igloc__ ) const

inline

Return the Cartesian coordinates of the local G-vector.

Definition at line 853 of file gvec.hpp.

◆ gvec_array()

auto const & sirius::fft::Gvec_fft::gvec_array ( ) const

inline

Return the full array of the local G-vector Cartesian coodinates.

Definition at line 859 of file gvec.hpp.

◆ gather_pw_fft()

template<typename T >

void sirius::fft::Gvec_fft::gather_pw_fft	(	std::complex< T > const *	f_pw_local__,
		std::complex< T > *	f_pw_fft__
	)		const

inline

Definition at line 865 of file gvec.hpp.

◆ gather_pw_global()

template<typename T >

void sirius::fft::Gvec_fft::gather_pw_global	(	std::complex< T > const *	f_pw_fft__,
		std::complex< T > *	f_pw_global__
	)		const

inline

Definition at line 875 of file gvec.hpp.

◆ scatter_pw_global()

template<typename T >

void sirius::fft::Gvec_fft::scatter_pw_global	(	std::complex< T > const *	f_pw_global__,
		std::complex< T > *	f_pw_fft__
	)		const

inline

Definition at line 886 of file gvec.hpp.

◆ update_gkvec_cart()

void sirius::fft::Gvec_fft::update_gkvec_cart ( )

inline

Update Cartesian coordinates after a change in lattice vectors.

Definition at line 898 of file gvec.hpp.

Member Data Documentation

◆ gvec_

Gvec const& sirius::fft::Gvec_fft::gvec_

private

Reference to the G-vector instance.

Definition at line 775 of file gvec.hpp.

◆ comm_fft_

mpi::Communicator const& sirius::fft::Gvec_fft::comm_fft_

private

Communicator for the FFT.

Definition at line 778 of file gvec.hpp.

◆ comm_ortho_fft_

mpi::Communicator const& sirius::fft::Gvec_fft::comm_ortho_fft_

private

Communicator which is orthogonal to FFT communicator.

Definition at line 781 of file gvec.hpp.

◆ gvec_distr_fft_

mpi::block_data_descriptor sirius::fft::Gvec_fft::gvec_distr_fft_

private

Distribution of G-vectors for FFT.

Definition at line 784 of file gvec.hpp.

◆ num_zcol_local_

int sirius::fft::Gvec_fft::num_zcol_local_ {0}

private

Local number of z-columns.

Definition at line 787 of file gvec.hpp.

◆ gvec_fft_slab_

mpi::block_data_descriptor sirius::fft::Gvec_fft::gvec_fft_slab_

private

Distribution of G-vectors inside FFT-friendly "fat" slab.

Definition at line 790 of file gvec.hpp.

◆ rank_map_

sddk::mdarray<int, 2> sirius::fft::Gvec_fft::rank_map_

private

Mapping of MPI ranks used to split G-vectors to a 2D grid.

Definition at line 793 of file gvec.hpp.

◆ gvec_array_

sddk::mdarray<int, 2> sirius::fft::Gvec_fft::gvec_array_

private

Lattice coordinates of a local set of G-vectors.

These are also known as Miller indices

Definition at line 797 of file gvec.hpp.

◆ gkvec_cart_array_

sddk::mdarray<double, 2> sirius::fft::Gvec_fft::gkvec_cart_array_

private

Cartesian coordinaes of a local set of G+k-vectors.

Definition at line 800 of file gvec.hpp.

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

Public Member Functions

Private Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ Gvec_fft()

Member Function Documentation

◆ build_fft_distr()

◆ pile_gvec()

◆ comm_fft()

◆ comm_ortho_fft()

◆ count() [1/2]

◆ count() [2/2]

◆ zcol_count()

◆ gvec_slab()

◆ gvec()

◆ gkvec_cart()

◆ gvec_array()

◆ gather_pw_fft()

◆ gather_pw_global()

◆ scatter_pw_global()

◆ update_gkvec_cart()

Member Data Documentation

◆ gvec_

◆ comm_fft_

◆ comm_ortho_fft_

◆ gvec_distr_fft_

◆ num_zcol_local_

◆ gvec_fft_slab_

◆ rank_map_

◆ gvec_array_

◆ gkvec_cart_array_