grid_dgemm_task_list.h File Reference

#include "../../offload/offload_buffer.h"
#include "../common/grid_basis_set.h"
#include "../common/grid_constants.h"
#include <stdbool.h>

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Typedefs
typedef struct grid_context_	grid_dgemm_task_list
	opaque pointer hidding the internal representation of the structure. It is not needed to know what exact structure for the public interface. Equivalent to private member in c++ class More...

Functions
void	grid_dgemm_create_task_list (const bool orthorhombic, const int ntasks, const int nlevels, const int natoms, const int nkinds, const int nblocks, const int block_offsets[nblocks], const double atom_positions[natoms][3], const int atom_kinds[natoms], const grid_basis_set *basis_sets[nkinds], const int level_list[ntasks], const int iatom_list[ntasks], const int jatom_list[ntasks], const int iset_list[ntasks], const int jset_list[ntasks], const int ipgf_list[ntasks], const int jpgf_list[ntasks], const int border_mask_list[ntasks], const int block_num_list[ntasks], const double radius_list[ntasks], const double rab_list[ntasks][3], const int npts_global[nlevels][3], const int npts_local[nlevels][3], const int shift_local[nlevels][3], const int border_width[nlevels][3], const double dh[nlevels][3][3], const double dh_inv[nlevels][3][3], grid_dgemm_task_list **task_list)
	Allocates a task list for the dgemm backend. See grid_task_list.h for details. More...
void	grid_dgemm_free_task_list (grid_dgemm_task_list *task_list)
	Deallocates given task list, basis_sets have to be freed separately. More...
void	grid_dgemm_collocate_task_list (grid_dgemm_task_list *const task_list, const enum grid_func func, const int nlevels, const offload_buffer *pab_blocks, offload_buffer *grids[nlevels])
	Collocate all tasks of in given list onto given grids. See grid_task_list.h for details. More...
void	grid_dgemm_integrate_task_list (void *const ptr, const bool compute_tau, const int natoms, const int nlevels, const offload_buffer *const pab_blocks, const offload_buffer *grids[nlevels], offload_buffer *hab_blocks, double forces[natoms][3], double virial[3][3])

Typedef Documentation

grid_dgemm_task_list

typedef struct grid_context_ grid_dgemm_task_list

opaque pointer hidding the internal representation of the structure. It is not needed to know what exact structure for the public interface. Equivalent to private member in c++ class

Definition at line 1 of file grid_dgemm_task_list.h.

Function Documentation

grid_dgemm_create_task_list()

void grid_dgemm_create_task_list	(	const bool	orthorhombic,
		const int	ntasks,
		const int	nlevels,
		const int	natoms,
		const int	nkinds,
		const int	nblocks,
		const int	block_offsets[nblocks],
		const double	atom_positions[natoms][3],
		const int	atom_kinds[natoms],
		const grid_basis_set *	basis_sets[nkinds],
		const int	level_list[ntasks],
		const int	iatom_list[ntasks],
		const int	jatom_list[ntasks],
		const int	iset_list[ntasks],
		const int	jset_list[ntasks],
		const int	ipgf_list[ntasks],
		const int	jpgf_list[ntasks],
		const int	border_mask_list[ntasks],
		const int	block_num_list[ntasks],
		const double	radius_list[ntasks],
		const double	rab_list[ntasks][3],
		const int	npts_global[nlevels][3],
		const int	npts_local[nlevels][3],
		const int	shift_local[nlevels][3],
		const int	border_width[nlevels][3],
		const double	dh[nlevels][3][3],
		const double	dh_inv[nlevels][3][3],
		grid_dgemm_task_list **	task_list
	)

Allocates a task list for the dgemm backend. See grid_task_list.h for details.

Definition at line 559 of file grid_dgemm_context.c.

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grid_dgemm_free_task_list()

void grid_dgemm_free_task_list

(

grid_dgemm_task_list *

task_list

)

Deallocates given task list, basis_sets have to be freed separately.

Definition at line 599 of file grid_dgemm_context.c.

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grid_dgemm_collocate_task_list()

void grid_dgemm_collocate_task_list	(	grid_dgemm_task_list *const	ptr,
		const enum grid_func	func,
		const int	nlevels,
		const offload_buffer *	pab_blocks,
		offload_buffer *	grids[nlevels]
	)

Collocate all tasks of in given list onto given grids. See grid_task_list.h for details.

Collocate all tasks of in given list onto given grids. See grid_task_list.h for details.

Definition at line 1233 of file grid_dgemm_collocate.c.

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grid_dgemm_integrate_task_list()

void grid_dgemm_integrate_task_list	(	void *const	ptr,
		const bool	compute_tau,
		const int	natoms,
		const int	nlevels,
		const offload_buffer *const	pab_blocks,
		const offload_buffer *	grids[nlevels],
		offload_buffer *	hab_blocks,
		double	forces[natoms][3],
		double	virial[3][3]
	)