pbc_simd.h File Reference

#include "config.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/simd/simd.h"

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Description

This file contains a definition, declaration and inline function for SIMD accelerated PBC calculations.

Author

Berk Hess hess@.nosp@m.kth..nosp@m.se

Functions
void	set_pbc_simd (const t_pbc *pbc, real *pbc_simd)
	Set the SIMD PBC data from a normal t_pbc struct. More...

Function Documentation

void set_pbc_simd	(	const t_pbc *	pbc,
		real *	pbc_simd
	)

Set the SIMD PBC data from a normal t_pbc struct.

Parameters

pbc	Type of periodic boundary, NULL can be passed for then no PBC will be used.
pbc_simd	Pointer to aligned memory with (DIM + DIM*(DIM+1)/2) GMX_SIMD_REAL_WIDTH reals describing the box vectors unrolled by GMX_SIMD_REAL_WIDTH. These are sorted in a slightly non-standard order so that we always issue the memory loads in order (to improve prefetching) in pbc_correct_dx_simd(). The order is inv_bzz, bzx, bzy, bzz, inv_byy, byx, byy, inv_bxx, and bxx.