q3::diagonalizer::planewave::gpu Namespace Reference

Functions
__global__ void	apply_kinetic_energy_kernel (int total_elements, int number_of_plane_waves, const double *kinetic_energy, const hipDoubleComplex *psi, hipDoubleComplex *hpsi)
__global__ void	apply_kinetic_energy_single_kernel (int total_elements, int number_of_plane_waves, const float *kinetic_energy, const hipComplex *psi, hipComplex *hpsi)
__global__ void	apply_preconditioner_kernel (int total_elements, int number_of_plane_waves, const double *kinetic_energy_squared, const double *eigenvalues, const bool *band_converged, double floor_value, hipDoubleComplex *residual_wavefunctions)
__global__ void	compute_residuals_kernel (int total_elements, int number_of_plane_waves, const double *eigenvalues, const hipDoubleComplex *hamiltonian_ritz_vectors, const hipDoubleComplex *overlap_ritz_vectors, hipDoubleComplex *residual_wavefunctions)
__global__ void	gather_fft_grid_to_g_kernel (int total_elements, int number_of_plane_waves, int local_smooth_grid_points, const int *g_to_fft_mapping, const hipDoubleComplex *fft_workspace, hipDoubleComplex *hpsi)
__global__ void	gather_fft_grid_to_g_mixed_kernel (int total_elements, int number_of_plane_waves, int local_smooth_grid_points, const int *g_to_fft_mapping, const hipComplex *fft_workspace, hipDoubleComplex *hpsi)
__global__ void	gather_fft_grid_to_g_single_kernel (int total_elements, int number_of_plane_waves, int local_smooth_grid_points, const int *g_to_fft_mapping, const hipComplex *fft_workspace, hipComplex *hpsi)
static sycl::queue	get_sycl_queue ()
void	launch_apply_kinetic_energy (int number_of_vectors, int number_of_plane_waves, const double *kinetic_energy, const std::complex< double > *psi, std::complex< double > *hpsi)
void	launch_apply_kinetic_energy_single (int number_of_vectors, int number_of_plane_waves, const float *kinetic_energy, const std::complex< float > *psi, std::complex< float > *hpsi)
void	launch_apply_preconditioner (int number_of_bands, int number_of_plane_waves, const double *kinetic_energy_squared, const double *eigenvalues, const bool *band_converged, double floor_value, std::complex< double > *residual_wavefunctions)
void	launch_compute_residuals (int number_of_bands, int number_of_plane_waves, const double *eigenvalues, const std::complex< double > *hamiltonian_ritz_vectors, const std::complex< double > *overlap_ritz_vectors, std::complex< double > *residual_wavefunctions)
void	launch_gather_fft_grid_to_g (int number_of_vectors, int number_of_plane_waves, int local_smooth_grid_points, const int *g_to_fft_mapping, const std::complex< double > *fft_workspace, std::complex< double > *hpsi)
void	launch_gather_fft_grid_to_g_mixed (int number_of_vectors, int number_of_plane_waves, int local_smooth_grid_points, const int *g_to_fft_mapping, const std::complex< float > *fft_workspace, std::complex< double > *hpsi)
void	launch_gather_fft_grid_to_g_single (int number_of_vectors, int number_of_plane_waves, int local_smooth_grid_points, const int *g_to_fft_mapping, const std::complex< float > *fft_workspace, std::complex< float > *hpsi)
void	launch_multiply_potential (int number_of_vectors, int local_smooth_grid_points, const double *potential, std::complex< double > *fft_workspace)
void	launch_multiply_potential_single (int number_of_vectors, int local_smooth_grid_points, const float *potential, std::complex< float > *fft_workspace)
void	launch_scatter_g_to_fft_grid (int number_of_vectors, int number_of_plane_waves, int local_smooth_grid_points, const int *g_to_fft_mapping, const int *minus_g_to_fft_mapping, bool is_gamma_only, const std::complex< double > *psi, std::complex< double > *fft_workspace)
void	launch_scatter_g_to_fft_grid_mixed (int number_of_vectors, int number_of_plane_waves, int local_smooth_grid_points, const int *g_to_fft_mapping, const int *minus_g_to_fft_mapping, bool is_gamma_only, const std::complex< double > *psi, std::complex< float > *fft_workspace)
void	launch_scatter_g_to_fft_grid_single (int number_of_vectors, int number_of_plane_waves, int local_smooth_grid_points, const int *g_to_fft_mapping, const int *minus_g_to_fft_mapping, bool is_gamma_only, const std::complex< float > *psi, std::complex< float > *fft_workspace)
__global__ void	multiply_potential_kernel (int total_elements, int local_smooth_grid_points, const double *potential, hipDoubleComplex *fft_workspace)
__global__ void	multiply_potential_single_kernel (int total_elements, int local_smooth_grid_points, const float *potential, hipComplex *fft_workspace)
__global__ void	scatter_g_to_fft_grid_kernel (int total_elements, int number_of_plane_waves, int local_smooth_grid_points, const int *g_to_fft_mapping, const int *minus_g_to_fft_mapping, bool is_gamma_only, const hipDoubleComplex *psi, hipDoubleComplex *fft_workspace)
__global__ void	scatter_g_to_fft_grid_mixed_kernel (int total_elements, int number_of_plane_waves, int local_smooth_grid_points, const int *g_to_fft_mapping, const int *minus_g_to_fft_mapping, bool is_gamma_only, const hipDoubleComplex *psi, hipComplex *fft_workspace)
__global__ void	scatter_g_to_fft_grid_single_kernel (int total_elements, int number_of_plane_waves, int local_smooth_grid_points, const int *g_to_fft_mapping, const int *minus_g_to_fft_mapping, bool is_gamma_only, const hipComplex *psi, hipComplex *fft_workspace)

Function Documentation

apply_kinetic_energy_kernel()

__global__ void q3::diagonalizer::planewave::gpu::apply_kinetic_energy_kernel	(	int	total_elements,
		int	number_of_plane_waves,
		const double *	kinetic_energy,
		const hipDoubleComplex *	psi,
		hipDoubleComplex *	hpsi
	)

Definition at line 13 of file gpu_kernels_hip.cpp.

Referenced by launch_apply_kinetic_energy().

apply_kinetic_energy_single_kernel()

__global__ void q3::diagonalizer::planewave::gpu::apply_kinetic_energy_single_kernel	(	int	total_elements,
		int	number_of_plane_waves,
		const float *	kinetic_energy,
		const hipComplex *	psi,
		hipComplex *	hpsi
	)

Definition at line 27 of file gpu_kernels_hip.cpp.

Referenced by launch_apply_kinetic_energy_single().

apply_preconditioner_kernel()

__global__ void q3::diagonalizer::planewave::gpu::apply_preconditioner_kernel	(	int	total_elements,
		int	number_of_plane_waves,
		const double *	kinetic_energy_squared,
		const double *	eigenvalues,
		const bool *	band_converged,
		double	floor_value,
		hipDoubleComplex *	residual_wavefunctions
	)

Definition at line 225 of file gpu_kernels_hip.cpp.

Referenced by launch_apply_preconditioner().

compute_residuals_kernel()

__global__ void q3::diagonalizer::planewave::gpu::compute_residuals_kernel	(	int	total_elements,
		int	number_of_plane_waves,
		const double *	eigenvalues,
		const hipDoubleComplex *	hamiltonian_ritz_vectors,
		const hipDoubleComplex *	overlap_ritz_vectors,
		hipDoubleComplex *	residual_wavefunctions
	)

Definition at line 208 of file gpu_kernels_hip.cpp.

Referenced by launch_compute_residuals().

gather_fft_grid_to_g_kernel()

__global__ void q3::diagonalizer::planewave::gpu::gather_fft_grid_to_g_kernel	(	int	total_elements,
		int	number_of_plane_waves,
		int	local_smooth_grid_points,
		const int *	g_to_fft_mapping,
		const hipDoubleComplex *	fft_workspace,
		hipDoubleComplex *	hpsi
	)

Definition at line 149 of file gpu_kernels_hip.cpp.

Referenced by launch_gather_fft_grid_to_g().

gather_fft_grid_to_g_mixed_kernel()

__global__ void q3::diagonalizer::planewave::gpu::gather_fft_grid_to_g_mixed_kernel	(	int	total_elements,
		int	number_of_plane_waves,
		int	local_smooth_grid_points,
		const int *	g_to_fft_mapping,
		const hipComplex *	fft_workspace,
		hipDoubleComplex *	hpsi
	)

Definition at line 188 of file gpu_kernels_hip.cpp.

Referenced by launch_gather_fft_grid_to_g_mixed().

gather_fft_grid_to_g_single_kernel()

__global__ void q3::diagonalizer::planewave::gpu::gather_fft_grid_to_g_single_kernel	(	int	total_elements,
		int	number_of_plane_waves,
		int	local_smooth_grid_points,
		const int *	g_to_fft_mapping,
		const hipComplex *	fft_workspace,
		hipComplex *	hpsi
	)

Definition at line 169 of file gpu_kernels_hip.cpp.

Referenced by launch_gather_fft_grid_to_g_single().

get_sycl_queue()

static sycl::queue q3::diagonalizer::planewave::gpu::get_sycl_queue ( )

static

Definition at line 11 of file gpu_kernels_sycl.cpp.

launch_apply_kinetic_energy()

void q3::diagonalizer::planewave::gpu::launch_apply_kinetic_energy	(	int	number_of_vectors,
		int	number_of_plane_waves,
		const double *	kinetic_energy,
		const std::complex< double > *	psi,
		std::complex< double > *	hpsi
	)

Definition at line 252 of file gpu_kernels_hip.cpp.

References apply_kinetic_energy_kernel().

Referenced by q3::GPUPlanewaveHamiltonianApplicator::apply_batch().

launch_apply_kinetic_energy_single()

void q3::diagonalizer::planewave::gpu::launch_apply_kinetic_energy_single	(	int	number_of_vectors,
		int	number_of_plane_waves,
		const float *	kinetic_energy,
		const std::complex< float > *	psi,
		std::complex< float > *	hpsi
	)

Definition at line 274 of file gpu_kernels_hip.cpp.

References apply_kinetic_energy_single_kernel().

Referenced by q3::GPUPlanewaveHamiltonianApplicator::apply_batch_single_precision().

launch_apply_preconditioner()

void q3::diagonalizer::planewave::gpu::launch_apply_preconditioner	(	int	number_of_bands,
		int	number_of_plane_waves,
		const double *	kinetic_energy_squared,
		const double *	eigenvalues,
		const bool *	band_converged,
		double	floor_value,
		std::complex< double > *	residual_wavefunctions
	)

Definition at line 525 of file gpu_kernels_hip.cpp.

References apply_preconditioner_kernel().

Referenced by q3::GPUPlanewaveSubspaceManager::apply_preconditioner().

launch_compute_residuals()

void q3::diagonalizer::planewave::gpu::launch_compute_residuals	(	int	number_of_bands,
		int	number_of_plane_waves,
		const double *	eigenvalues,
		const std::complex< double > *	hamiltonian_ritz_vectors,
		const std::complex< double > *	overlap_ritz_vectors,
		std::complex< double > *	residual_wavefunctions
	)

Definition at line 501 of file gpu_kernels_hip.cpp.

References compute_residuals_kernel().

launch_gather_fft_grid_to_g()

void q3::diagonalizer::planewave::gpu::launch_gather_fft_grid_to_g	(	int	number_of_vectors,
		int	number_of_plane_waves,
		int	local_smooth_grid_points,
		const int *	g_to_fft_mapping,
		const std::complex< double > *	fft_workspace,
		std::complex< double > *	hpsi
	)

Definition at line 429 of file gpu_kernels_hip.cpp.

References gather_fft_grid_to_g_kernel().

launch_gather_fft_grid_to_g_mixed()

void q3::diagonalizer::planewave::gpu::launch_gather_fft_grid_to_g_mixed	(	int	number_of_vectors,
		int	number_of_plane_waves,
		int	local_smooth_grid_points,
		const int *	g_to_fft_mapping,
		const std::complex< float > *	fft_workspace,
		std::complex< double > *	hpsi
	)

Definition at line 477 of file gpu_kernels_hip.cpp.

References gather_fft_grid_to_g_mixed_kernel().

launch_gather_fft_grid_to_g_single()

void q3::diagonalizer::planewave::gpu::launch_gather_fft_grid_to_g_single	(	int	number_of_vectors,
		int	number_of_plane_waves,
		int	local_smooth_grid_points,
		const int *	g_to_fft_mapping,
		const std::complex< float > *	fft_workspace,
		std::complex< float > *	hpsi
	)

Definition at line 453 of file gpu_kernels_hip.cpp.

References gather_fft_grid_to_g_single_kernel().

Referenced by q3::GPUPlanewaveHamiltonianApplicator::apply_batch_single_precision().

launch_multiply_potential()

void q3::diagonalizer::planewave::gpu::launch_multiply_potential	(	int	number_of_vectors,
		int	local_smooth_grid_points,
		const double *	potential,
		std::complex< double > *	fft_workspace
	)

Definition at line 389 of file gpu_kernels_hip.cpp.

References multiply_potential_kernel().

launch_multiply_potential_single()

void q3::diagonalizer::planewave::gpu::launch_multiply_potential_single	(	int	number_of_vectors,
		int	local_smooth_grid_points,
		const float *	potential,
		std::complex< float > *	fft_workspace
	)

Definition at line 409 of file gpu_kernels_hip.cpp.

References multiply_potential_single_kernel().

Referenced by q3::GPUPlanewaveHamiltonianApplicator::apply_batch_single_precision().

launch_scatter_g_to_fft_grid()

void q3::diagonalizer::planewave::gpu::launch_scatter_g_to_fft_grid	(	int	number_of_vectors,
		int	number_of_plane_waves,
		int	local_smooth_grid_points,
		const int *	g_to_fft_mapping,
		const int *	minus_g_to_fft_mapping,
		bool	is_gamma_only,
		const std::complex< double > *	psi,
		std::complex< double > *	fft_workspace
	)

Definition at line 296 of file gpu_kernels_hip.cpp.

References scatter_g_to_fft_grid_kernel().

launch_scatter_g_to_fft_grid_mixed()

void q3::diagonalizer::planewave::gpu::launch_scatter_g_to_fft_grid_mixed	(	int	number_of_vectors,
		int	number_of_plane_waves,
		int	local_smooth_grid_points,
		const int *	g_to_fft_mapping,
		const int *	minus_g_to_fft_mapping,
		bool	is_gamma_only,
		const std::complex< double > *	psi,
		std::complex< float > *	fft_workspace
	)

Definition at line 358 of file gpu_kernels_hip.cpp.

References scatter_g_to_fft_grid_mixed_kernel().

launch_scatter_g_to_fft_grid_single()

void q3::diagonalizer::planewave::gpu::launch_scatter_g_to_fft_grid_single	(	int	number_of_vectors,
		int	number_of_plane_waves,
		int	local_smooth_grid_points,
		const int *	g_to_fft_mapping,
		const int *	minus_g_to_fft_mapping,
		bool	is_gamma_only,
		const std::complex< float > *	psi,
		std::complex< float > *	fft_workspace
	)

Definition at line 327 of file gpu_kernels_hip.cpp.

References scatter_g_to_fft_grid_single_kernel().

Referenced by q3::GPUPlanewaveHamiltonianApplicator::apply_batch_single_precision().

multiply_potential_kernel()

__global__ void q3::diagonalizer::planewave::gpu::multiply_potential_kernel	(	int	total_elements,
		int	local_smooth_grid_points,
		const double *	potential,
		hipDoubleComplex *	fft_workspace
	)

Definition at line 123 of file gpu_kernels_hip.cpp.

Referenced by launch_multiply_potential().

multiply_potential_single_kernel()

__global__ void q3::diagonalizer::planewave::gpu::multiply_potential_single_kernel	(	int	total_elements,
		int	local_smooth_grid_points,
		const float *	potential,
		hipComplex *	fft_workspace
	)

Definition at line 136 of file gpu_kernels_hip.cpp.

Referenced by launch_multiply_potential_single().

scatter_g_to_fft_grid_kernel()

__global__ void q3::diagonalizer::planewave::gpu::scatter_g_to_fft_grid_kernel	(	int	total_elements,
		int	number_of_plane_waves,
		int	local_smooth_grid_points,
		const int *	g_to_fft_mapping,
		const int *	minus_g_to_fft_mapping,
		bool	is_gamma_only,
		const hipDoubleComplex *	psi,
		hipDoubleComplex *	fft_workspace
	)

Definition at line 41 of file gpu_kernels_hip.cpp.

Referenced by launch_scatter_g_to_fft_grid().

scatter_g_to_fft_grid_mixed_kernel()

__global__ void q3::diagonalizer::planewave::gpu::scatter_g_to_fft_grid_mixed_kernel	(	int	total_elements,
		int	number_of_plane_waves,
		int	local_smooth_grid_points,
		const int *	g_to_fft_mapping,
		const int *	minus_g_to_fft_mapping,
		bool	is_gamma_only,
		const hipDoubleComplex *	psi,
		hipComplex *	fft_workspace
	)

Definition at line 95 of file gpu_kernels_hip.cpp.

Referenced by launch_scatter_g_to_fft_grid_mixed().

scatter_g_to_fft_grid_single_kernel()

__global__ void q3::diagonalizer::planewave::gpu::scatter_g_to_fft_grid_single_kernel	(	int	total_elements,
		int	number_of_plane_waves,
		int	local_smooth_grid_points,
		const int *	g_to_fft_mapping,
		const int *	minus_g_to_fft_mapping,
		bool	is_gamma_only,
		const hipComplex *	psi,
		hipComplex *	fft_workspace
	)

Definition at line 68 of file gpu_kernels_hip.cpp.

Referenced by launch_scatter_g_to_fft_grid_single().