/* Calculate exponentials through SIMD */
gmx_inline static void calc_exponentials_lj(int gmx_unused start, int end, real *r_aligned, real *factor_aligned, real *d_aligned)
{
gmx_simd_real_t tmp_r, tmp_d, tmp_fac, d_inv, tmp_mk;
const gmx_simd_real_t sqr_PI = gmx_simd_sqrt_r(gmx_simd_set1_r(M_PI));
int kx;
for (kx = 0; kx < end; kx += GMX_SIMD_REAL_WIDTH)
{
/* We only need to calculate from start. But since start is 0 or 1
* and we want to use aligned loads/stores, we always start from 0.
*/
tmp_d = gmx_simd_load_r(d_aligned+kx);
d_inv = gmx_simd_inv_r(tmp_d);
gmx_simd_store_r(d_aligned+kx, d_inv);
tmp_r = gmx_simd_load_r(r_aligned+kx);
tmp_r = gmx_simd_exp_r(tmp_r);
gmx_simd_store_r(r_aligned+kx, tmp_r);
tmp_mk = gmx_simd_load_r(factor_aligned+kx);
tmp_fac = gmx_simd_mul_r(sqr_PI, gmx_simd_mul_r(tmp_mk, gmx_simd_erfc_r(tmp_mk)));
gmx_simd_store_r(factor_aligned+kx, tmp_fac);
}
}
gmx_simd_real_t
vector2SimdReal(const std::vector<real> &v)
{
real mem[GMX_SIMD_REAL_WIDTH*2];
real * p = gmx_simd_align_r(mem);
for (int i = 0; i < GMX_SIMD_REAL_WIDTH; i++)
{
p[i] = v[i % v.size()]; // repeat vector contents to fill simd width
}
return gmx_simd_load_r(p);
}
/* Calculate exponentials through SIMD */
gmx_inline static void calc_exponentials_q(int gmx_unused start, int end, real f, real *d_aligned, real *r_aligned, real *e_aligned)
{
{
gmx_simd_real_t f_simd;
gmx_simd_real_t tmp_d1, d_inv, tmp_r, tmp_e;
int kx;
f_simd = gmx_simd_set1_r(f);
/* We only need to calculate from start. But since start is 0 or 1
* and we want to use aligned loads/stores, we always start from 0.
*/
for (kx = 0; kx < end; kx += GMX_SIMD_REAL_WIDTH)
{
tmp_d1 = gmx_simd_load_r(d_aligned+kx);
d_inv = gmx_simd_inv_r(tmp_d1);
tmp_r = gmx_simd_load_r(r_aligned+kx);
tmp_r = gmx_simd_exp_r(tmp_r);
tmp_e = gmx_simd_mul_r(f_simd, d_inv);
tmp_e = gmx_simd_mul_r(tmp_e, tmp_r);
gmx_simd_store_r(e_aligned+kx, tmp_e);
}
}
}
