#include <davidson.hpp>

Inheritance diagram for q3::GPUDavidsonWorkspace:

Public Member Functions
	GPUDavidsonWorkspace (std::shared_ptr< execution::gpu::device::GPUDeviceBackend > device_backend)

const Complex *	band_scratch () const override

Complex *	band_scratch () override

const Complex *	basis_vectors () const override

Complex *	basis_vectors () override

Real *	eigenvalues_device ()

const Real *	eigenvalues_device () const

const Complex *	hamiltonian_basis_vectors () const override

Complex *	hamiltonian_basis_vectors () override

const Complex *	overlap_basis_vectors () const override

Complex *	overlap_basis_vectors () override

void	resize (int maximum_basis_size, int number_of_plane_waves, int number_of_bands, bool overlap_is_identity) override

const Complex *	subspace_hamiltonian () const override

Complex *	subspace_hamiltonian () override

const Complex *	subspace_overlap () const override

Complex *	subspace_overlap () override

void	sync_to_device ()

void	sync_to_host () override

Public Member Functions inherited from q3::PlanewaveDavidsonWorkspace
virtual	~PlanewaveDavidsonWorkspace ()=default

Real *	local_eigenvalues ()

const Real *	local_eigenvalues () const

Additional Inherited Members
Protected Attributes inherited from q3::PlanewaveDavidsonWorkspace
std::vector< Real >	local_eigenvalues_host_

Detailed Description

Definition at line 217 of file davidson.hpp.

Constructor & Destructor Documentation

◆ GPUDavidsonWorkspace()

q3::GPUDavidsonWorkspace::GPUDavidsonWorkspace ( std::shared_ptr< execution::gpu::device::GPUDeviceBackend > device_backend )

inlineexplicit

Definition at line 219 of file davidson.hpp.

Member Function Documentation

◆ band_scratch() [1/2]

const Complex * q3::GPUDavidsonWorkspace::band_scratch ( ) const

inlineoverridevirtual

Implements q3::PlanewaveDavidsonWorkspace.

Definition at line 314 of file davidson.hpp.

References q3::execution::gpu::device::GPUDeviceBuffer< T >::data().

◆ band_scratch() [2/2]

Complex * q3::GPUDavidsonWorkspace::band_scratch ( )

inlineoverridevirtual

One band-sized buffer the solver borrows for a rotation that cannot be done in place – the subspace collapse and the final extraction. It replaced the Ritz vectors, H|Ritz>, S|Ritz> and residual arrays, which the correction-vector build made unnecessary.

Implements q3::PlanewaveDavidsonWorkspace.

Definition at line 311 of file davidson.hpp.

References q3::execution::gpu::device::GPUDeviceBuffer< T >::data().

◆ basis_vectors() [1/2]

const Complex * q3::GPUDavidsonWorkspace::basis_vectors ( ) const

inlineoverridevirtual

Implements q3::PlanewaveDavidsonWorkspace.

Definition at line 279 of file davidson.hpp.

References q3::execution::gpu::device::GPUDeviceBuffer< T >::data().

◆ basis_vectors() [2/2]

Complex * q3::GPUDavidsonWorkspace::basis_vectors ( )

inlineoverridevirtual

Implements q3::PlanewaveDavidsonWorkspace.

Definition at line 276 of file davidson.hpp.

References q3::execution::gpu::device::GPUDeviceBuffer< T >::data().

◆ eigenvalues_device() [1/2]

Real * q3::GPUDavidsonWorkspace::eigenvalues_device ( )

inline

Definition at line 318 of file davidson.hpp.

References q3::execution::gpu::device::GPUDeviceBuffer< T >::data().

◆ eigenvalues_device() [2/2]

const Real * q3::GPUDavidsonWorkspace::eigenvalues_device ( ) const

inline

Definition at line 321 of file davidson.hpp.

References q3::execution::gpu::device::GPUDeviceBuffer< T >::data().

◆ hamiltonian_basis_vectors() [1/2]

const Complex * q3::GPUDavidsonWorkspace::hamiltonian_basis_vectors ( ) const

inlineoverridevirtual

Implements q3::PlanewaveDavidsonWorkspace.

Definition at line 286 of file davidson.hpp.

References q3::execution::gpu::device::GPUDeviceBuffer< T >::data().

◆ hamiltonian_basis_vectors() [2/2]

Complex * q3::GPUDavidsonWorkspace::hamiltonian_basis_vectors ( )

inlineoverridevirtual

Implements q3::PlanewaveDavidsonWorkspace.

Definition at line 283 of file davidson.hpp.

References q3::execution::gpu::device::GPUDeviceBuffer< T >::data().

◆ overlap_basis_vectors() [1/2]

const Complex * q3::GPUDavidsonWorkspace::overlap_basis_vectors ( ) const

inlineoverridevirtual

Implements q3::PlanewaveDavidsonWorkspace.

Definition at line 293 of file davidson.hpp.

References q3::execution::gpu::device::GPUDeviceBuffer< T >::data().

◆ overlap_basis_vectors() [2/2]

Complex * q3::GPUDavidsonWorkspace::overlap_basis_vectors ( )

inlineoverridevirtual

Implements q3::PlanewaveDavidsonWorkspace.

Definition at line 290 of file davidson.hpp.

References q3::execution::gpu::device::GPUDeviceBuffer< T >::data().

◆ resize()

void q3::GPUDavidsonWorkspace::resize	(	int	maximum_basis_size,
		int	number_of_plane_waves,
		int	number_of_bands,
		bool	overlap_is_identity
	)

inlineoverridevirtual

Size the workspace for this k-point.

overlap_is_identity lets a norm-conserving run skip the S arrays entirely; the accessors then return the basis and Ritz buffers, which hold exactly the same values.

The device path still allocates its S buffers. Aliasing them would need the same write audit on every GPU kernel, and that wants its own change with a device to test it on.

Implements q3::PlanewaveDavidsonWorkspace.

Definition at line 230 of file davidson.hpp.

References q3::execution::gpu::device::GPUDeviceBuffer< T >::data(), q3::PlanewaveDavidsonWorkspace::local_eigenvalues_host_, and q3::execution::gpu::device::GPUDeviceBuffer< T >::size().