ModuleGint::PhiOperatorGpu< Real > Class Template Reference

#include <phi_operator_gpu.h>

Collaboration diagram for ModuleGint::PhiOperatorGpu< Real >:

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 (Real *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 Real *vl_d, const Real dr3, const Real *phi_d, Real *result_d) const
void	phi_mul_phi (const Real *phi_d, const Real *phi_vldr3_d, HContainer< double > &hRGint, double *hr_d) const
void	phi_mul_dm (const Real *phi_d, const Real *dm_d, const HContainer< Real > &dm, const bool is_symm, double *phi_dm_d)
void	phi_dot_phi (const Real *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 >	atom_phi_start_
CudaMemWrapper< int >	bgrid_phi_len_
CudaMemWrapper< int >	bgrid_phi_start_
CudaMemWrapper< int >	batch_mgrid_lidx_
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 Real * >	gemm_A_
CudaMemWrapper< const Real * >	gemm_B_
CudaMemWrapper< double * >	gemm_C_
CudaMemWrapper< Real >	gemm_alpha_

Constructor & Destructor Documentation

PhiOperatorGpu()

template<typename Real = double>

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

~PhiOperatorGpu()

template<typename Real = double>

ModuleGint::PhiOperatorGpu< Real >::~PhiOperatorGpu

(

)

Member Function Documentation

phi_dot_dphi()

template<typename Real = double>

void ModuleGint::PhiOperatorGpu< Real >::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

Here is the caller graph for this function:

phi_dot_dphi_r()

template<typename Real = double>

void ModuleGint::PhiOperatorGpu< Real >::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

Here is the caller graph for this function:

phi_dot_phi()

template<typename Real = double>

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

Here is the caller graph for this function:

phi_mul_dm()

template<typename Real = double>

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

Here is the caller graph for this function:

phi_mul_phi()

template<typename Real = double>

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

Here is the caller graph for this function:

phi_mul_vldr3()

template<typename Real = double>

void ModuleGint::PhiOperatorGpu< Real >::phi_mul_vldr3	(	const Real *	vl_d,
		const Real	dr3,
		const Real *	phi_d,
		Real *	result_d
	)		const

Here is the caller graph for this function:

set_bgrid_batch()

template<typename Real = double>

void ModuleGint::PhiOperatorGpu< Real >::set_bgrid_batch

(

std::shared_ptr< BatchBigGrid >

bgrid_batch

)

Here is the caller graph for this function:

set_ddphi()

template<typename Real = double>

void ModuleGint::PhiOperatorGpu< Real >::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

Here is the caller graph for this function:

set_phi()

template<typename Real = double>

void ModuleGint::PhiOperatorGpu< Real >::set_phi

(

Real *

phi_d

)

const

Here is the caller graph for this function:

set_phi_dphi()

template<typename Real = double>

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

Here is the caller graph for this function:

Member Data Documentation

atom_phi_start_

template<typename Real = double>

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu< Real >::atom_phi_start_

private

atoms_bgrids_rcoords_

template<typename Real = double>

CudaMemWrapper<double3> ModuleGint::PhiOperatorGpu< Real >::atoms_bgrids_rcoords_

private

atoms_iat_

template<typename Real = double>

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu< Real >::atoms_iat_

private

atoms_num_info_

template<typename Real = double>

CudaMemWrapper<int2> ModuleGint::PhiOperatorGpu< Real >::atoms_num_info_

private

batch_mgrid_lidx_

template<typename Real = double>

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu< Real >::batch_mgrid_lidx_

private

bgrid_batch_

template<typename Real = double>

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

private

bgrid_phi_len_

template<typename Real = double>

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu< Real >::bgrid_phi_len_

private

bgrid_phi_start_

template<typename Real = double>

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu< Real >::bgrid_phi_start_

private

event_

template<typename Real = double>

cudaEvent_t ModuleGint::PhiOperatorGpu< Real >::event_

private

gemm_A_

template<typename Real = double>

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

mutableprivate

gemm_alpha_

template<typename Real = double>

CudaMemWrapper<Real> ModuleGint::PhiOperatorGpu< Real >::gemm_alpha_

mutableprivate

gemm_B_

template<typename Real = double>

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

mutableprivate

gemm_C_

template<typename Real = double>

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

mutableprivate

gemm_k_

template<typename Real = double>

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu< Real >::gemm_k_

mutableprivate

gemm_lda_

template<typename Real = double>

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu< Real >::gemm_lda_

mutableprivate

gemm_ldb_

template<typename Real = double>

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu< Real >::gemm_ldb_

mutableprivate

gemm_ldc_

template<typename Real = double>

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu< Real >::gemm_ldc_

mutableprivate

gemm_m_

template<typename Real = double>

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu< Real >::gemm_m_

mutableprivate

gemm_n_

template<typename Real = double>

CudaMemWrapper<int> ModuleGint::PhiOperatorGpu< Real >::gemm_n_

mutableprivate

gint_gpu_vars_

template<typename Real = double>

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

private

mgrids_num_

template<typename Real = double>

int ModuleGint::PhiOperatorGpu< Real >::mgrids_num_

private

phi_len_

template<typename Real = double>

int ModuleGint::PhiOperatorGpu< Real >::phi_len_

private

stream_

template<typename Real = double>

cudaStream_t ModuleGint::PhiOperatorGpu< Real >::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/kernel/phi_operator_gpu.h