ABACUS: ModuleGint::PhiOperatorGpu Class Reference

ABACUS develop

Atomic-orbital Based Ab-initio Computation at UStc

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#include <phi_operator_gpu.h>

Collaboration diagram for ModuleGint::PhiOperatorGpu:

Public Member Functions
	PhiOperatorGpu (std::shared_ptr< const GintGpuVars > gint_gpu_vars, cudaStream_t stream=0)

	~PhiOperatorGpu ()

void	set_bgrid_batch (std::shared_ptr< BatchBigGrid > bgrid_batch)

void	set_phi (double *phi_d) const

void	set_phi_dphi (double phi_d, double dphi_x_d, double dphi_y_d, double dphi_z_d) const

void	set_ddphi (double ddphi_xx_d, double ddphi_xy_d, double ddphi_xz_d, double ddphi_yy_d, double ddphi_yz_d, double ddphi_zz_d) const

void	phi_mul_vldr3 (const double vl_d, const double dr3, const double phi_d, double *result_d) const

void	phi_mul_phi (const double phi_d, const double phi_vldr3_d, HContainer< double > &hRGint, double *hr_d) const

void	phi_mul_dm (const double phi_d, const double dm_d, const HContainer< double > &dm, const bool is_symm, double *phi_dm_d)

void	phi_dot_phi (const double phi_i_d, const double phi_j_d, double *rho_d) const

void	phi_dot_dphi (const double phi_d, const double dphi_x_d, const double dphi_y_d, const double dphi_z_d, double *fvl_d) const

void	phi_dot_dphi_r (const double phi_d, const double dphi_x_d, const double dphi_y_d, const double dphi_z_d, double *svl_d) const

Private Attributes
std::shared_ptr< BatchBigGrid >	bgrid_batch_

std::shared_ptr< const GintGpuVars >	gint_gpu_vars_

int	mgrids_num_

int	phi_len_

cudaStream_t	stream_ = 0

cudaEvent_t	event_

CudaMemWrapper< int2 >	atoms_num_info_

CudaMemWrapper< int >	atoms_iat_

CudaMemWrapper< double3 >	atoms_bgrids_rcoords_

CudaMemWrapper< int >	atoms_phi_start_

CudaMemWrapper< int >	bgrids_phi_len_

CudaMemWrapper< int >	bgrids_phi_start_

CudaMemWrapper< int >	mgrids_local_idx_batch_

CudaMemWrapper< int >	gemm_m_

CudaMemWrapper< int >	gemm_n_

CudaMemWrapper< int >	gemm_k_

CudaMemWrapper< int >	gemm_lda_

CudaMemWrapper< int >	gemm_ldb_

CudaMemWrapper< int >	gemm_ldc_

CudaMemWrapper< const double * >	gemm_A_

CudaMemWrapper< const double * >	gemm_B_

CudaMemWrapper< double * >	gemm_C_

CudaMemWrapper< double >	gemm_alpha_

Constructor & Destructor Documentation

◆ PhiOperatorGpu()

ModuleGint::PhiOperatorGpu::PhiOperatorGpu	(	std::shared_ptr< const GintGpuVars >	gint_gpu_vars,
		cudaStream_t	stream = `0`
	)

◆ ~PhiOperatorGpu()

ModuleGint::PhiOperatorGpu::~PhiOperatorGpu ( )

Member Function Documentation

◆ phi_dot_dphi()

void ModuleGint::PhiOperatorGpu::phi_dot_dphi	(	const double *	phi_d,
		const double *	dphi_x_d,
		const double *	dphi_y_d,
		const double *	dphi_z_d,
		double *	fvl_d
	)		const

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◆ phi_dot_dphi_r()

void ModuleGint::PhiOperatorGpu::phi_dot_dphi_r	(	const double *	phi_d,
		const double *	dphi_x_d,
		const double *	dphi_y_d,
		const double *	dphi_z_d,
		double *	svl_d
	)		const

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◆ phi_dot_phi()

void ModuleGint::PhiOperatorGpu::phi_dot_phi	(	const double *	phi_i_d,
		const double *	phi_j_d,
		double *	rho_d
	)		const

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◆ phi_mul_dm()

void ModuleGint::PhiOperatorGpu::phi_mul_dm	(	const double *	phi_d,
		const double *	dm_d,
		const HContainer< double > &	dm,
		const bool	is_symm,
		double *	phi_dm_d
	)

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◆ phi_mul_phi()

void ModuleGint::PhiOperatorGpu::phi_mul_phi	(	const double *	phi_d,
		const double *	phi_vldr3_d,
		HContainer< double > &	hRGint,
		double *	hr_d
	)		const

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◆ phi_mul_vldr3()

void ModuleGint::PhiOperatorGpu::phi_mul_vldr3	(	const double *	vl_d,
		const double	dr3,
		const double *	phi_d,
		double *	result_d
	)		const

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◆ set_bgrid_batch()

void ModuleGint::PhiOperatorGpu::set_bgrid_batch ( std::shared_ptr< BatchBigGrid > bgrid_batch )

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◆ set_ddphi()

void ModuleGint::PhiOperatorGpu::set_ddphi	(	double *	ddphi_xx_d,
		double *	ddphi_xy_d,
		double *	ddphi_xz_d,
		double *	ddphi_yy_d,
		double *	ddphi_yz_d,
		double *	ddphi_zz_d
	)		const

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◆ set_phi()

void ModuleGint::PhiOperatorGpu::set_phi ( double * phi_d ) const

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◆ set_phi_dphi()

void ModuleGint::PhiOperatorGpu::set_phi_dphi	(	double *	phi_d,
		double *	dphi_x_d,
		double *	dphi_y_d,
		double *	dphi_z_d
	)		const

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Member Data Documentation

◆ atoms_bgrids_rcoords_

CudaMemWrapper<double3> ModuleGint::PhiOperatorGpu::atoms_bgrids_rcoords_

private

◆ atoms_iat_

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu::atoms_iat_

private

◆ atoms_num_info_

CudaMemWrapper<int2> ModuleGint::PhiOperatorGpu::atoms_num_info_

private

◆ atoms_phi_start_

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu::atoms_phi_start_

private

◆ bgrid_batch_

std::shared_ptr<BatchBigGrid> ModuleGint::PhiOperatorGpu::bgrid_batch_

private

◆ bgrids_phi_len_

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu::bgrids_phi_len_

private

◆ bgrids_phi_start_

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu::bgrids_phi_start_

private

◆ event_

cudaEvent_t ModuleGint::PhiOperatorGpu::event_

private

◆ gemm_A_

CudaMemWrapper<const double*> ModuleGint::PhiOperatorGpu::gemm_A_

mutableprivate

◆ gemm_alpha_

CudaMemWrapper<double> ModuleGint::PhiOperatorGpu::gemm_alpha_

mutableprivate

◆ gemm_B_

CudaMemWrapper<const double*> ModuleGint::PhiOperatorGpu::gemm_B_

mutableprivate

◆ gemm_C_

CudaMemWrapper<double*> ModuleGint::PhiOperatorGpu::gemm_C_

mutableprivate

◆ gemm_k_

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu::gemm_k_

mutableprivate

◆ gemm_lda_

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu::gemm_lda_

mutableprivate

◆ gemm_ldb_

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu::gemm_ldb_

mutableprivate

◆ gemm_ldc_

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu::gemm_ldc_

mutableprivate

◆ gemm_m_

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu::gemm_m_

mutableprivate

◆ gemm_n_

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu::gemm_n_

mutableprivate

◆ gint_gpu_vars_

std::shared_ptr<const GintGpuVars> ModuleGint::PhiOperatorGpu::gint_gpu_vars_

private

◆ mgrids_local_idx_batch_

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu::mgrids_local_idx_batch_

private

◆ mgrids_num_

int ModuleGint::PhiOperatorGpu::mgrids_num_

private

◆ phi_len_

int ModuleGint::PhiOperatorGpu::phi_len_

private

◆ stream_

cudaStream_t ModuleGint::PhiOperatorGpu::stream_ = 0

private

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

/home/runner/work/abacus-develop/abacus-develop/source/source_lcao/module_gint/temp_gint/kernel/phi_operator_gpu.h