/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
- * Copyright (c) 2001-2012, The GROMACS development team,
- * check out http://www.gromacs.org for more information.
- * Copyright (c) 2012, by the GROMACS development team, led by
- * David van der Spoel, Berk Hess, Erik Lindahl, and including many
- * others, as listed in the AUTHORS file in the top-level source
- * directory and at http://www.gromacs.org.
+ * Copyright (c) 2012,2013,2014, by the GROMACS development team, led by
+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
+ * and including many others, as listed in the AUTHORS file in the
+ * top-level source directory and at http://www.gromacs.org.
*
* GROMACS is free software; you can redistribute it and/or
* modify it under the terms of the GNU Lesser General Public License
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#if GMX_NBNXN_SIMD_BITWIDTH != 256
-#error "unsupported SIMD width"
-#endif
-
-#include "gmx_simd_macros.h"
-
-/* Define a few macros for half-width SIMD */
-#if defined GMX_X86_AVX_256 && !defined GMX_DOUBLE
-/* Half-width SIMD real type */
-#define gmx_mm_hpr __m128
-/* Half-width SIMD operations */
-/* Load reals at half-width aligned pointer b into half-width SIMD register a */
-#define gmx_load_hpr(a,b) a = _mm_load_ps(b)
-#define gmx_set1_hpr _mm_set1_ps
-/* Load reals at half-width aligned pointer b into two halves of a */
-#define gmx_loaddh_pr(a, b) a = gmx_mm256_load4_ps(b)
-/* Store half width SIMD registers b and c in ful width register a */
-#define gmx_2hpr_to_pr(a, b, c) a = _mm256_insertf128_ps(_mm256_castps128_ps256(b), c, 0x1)
-#else
-#error "Half-width SIMD macros are not yet defined"
-#endif
+/* Get the half-width SIMD stuff from the kernel utils files */
+#include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_simd_utils.h"
-#if GMX_SIMD_WIDTH_HERE >= 2*NBNXN_CPU_CLUSTER_I_SIZE
-#define STRIDE_S (GMX_SIMD_WIDTH_HERE/2)
+#if GMX_SIMD_REAL_WIDTH >= 2*NBNXN_CPU_CLUSTER_I_SIZE
+#define STRIDE_S (GMX_SIMD_REAL_WIDTH/2)
#else
#define STRIDE_S NBNXN_CPU_CLUSTER_I_SIZE
#endif
-static gmx_inline gmx_mm_pr gmx_load_hpr_hilo_pr(const real *a)
+static gmx_inline gmx_simd_real_t gmx_load_hpr_hilo_pr(const real *a)
{
- gmx_mm_hpr a_S;
- gmx_mm_pr a_a_S;
+ gmx_mm_hpr a_S;
+ gmx_simd_real_t a_a_S;
- gmx_load_hpr(a_S, a);
+ gmx_load_hpr(&a_S, a);
- gmx_2hpr_to_pr(a_a_S, a_S, a_S);
+ gmx_2hpr_to_pr(a_S, a_S, &a_a_S);
return a_a_S;
}
-static gmx_inline gmx_mm_pr gmx_set_2real_shift_pr(const real *a, real shift)
+static gmx_inline gmx_simd_real_t gmx_set_2real_shift_pr(const real *a, real shift)
{
- gmx_mm_hpr a0_S, a1_S;
- gmx_mm_pr a0_a1_S;
+ gmx_mm_hpr a0_S, a1_S;
+ gmx_simd_real_t a0_a1_S;
- a0_S = gmx_set1_hpr(a[0] + shift);
- a1_S = gmx_set1_hpr(a[1] + shift);
+ gmx_set1_hpr(&a0_S, a[0] + shift);
+ gmx_set1_hpr(&a1_S, a[1] + shift);
- gmx_2hpr_to_pr(a0_a1_S, a0_S, a1_S);
+ gmx_2hpr_to_pr(a0_S, a1_S, &a0_a1_S);
return a0_a1_S;
}
static gmx_inline void
icell_set_x_simd_2xnn(int ci,
real shx, real shy, real shz,
- int na_c,
- int stride, const real *x,
+ int gmx_unused na_c,
+ int gmx_unused stride, const real *x,
nbnxn_list_work_t *work)
{
int ia;
ia = X_IND_CI_SIMD_2XNN(ci);
- x_ci->ix_SSE0 = gmx_set_2real_shift_pr(x + ia + 0*STRIDE_S + 0, shx);
- x_ci->iy_SSE0 = gmx_set_2real_shift_pr(x + ia + 1*STRIDE_S + 0, shy);
- x_ci->iz_SSE0 = gmx_set_2real_shift_pr(x + ia + 2*STRIDE_S + 0, shz);
- x_ci->ix_SSE2 = gmx_set_2real_shift_pr(x + ia + 0*STRIDE_S + 2, shx);
- x_ci->iy_SSE2 = gmx_set_2real_shift_pr(x + ia + 1*STRIDE_S + 2, shy);
- x_ci->iz_SSE2 = gmx_set_2real_shift_pr(x + ia + 2*STRIDE_S + 2, shz);
+ x_ci->ix_S0 = gmx_set_2real_shift_pr(x + ia + 0*STRIDE_S + 0, shx);
+ x_ci->iy_S0 = gmx_set_2real_shift_pr(x + ia + 1*STRIDE_S + 0, shy);
+ x_ci->iz_S0 = gmx_set_2real_shift_pr(x + ia + 2*STRIDE_S + 0, shz);
+ x_ci->ix_S2 = gmx_set_2real_shift_pr(x + ia + 0*STRIDE_S + 2, shx);
+ x_ci->iy_S2 = gmx_set_2real_shift_pr(x + ia + 1*STRIDE_S + 2, shy);
+ x_ci->iz_S2 = gmx_set_2real_shift_pr(x + ia + 2*STRIDE_S + 2, shz);
}
-#ifndef GMX_HAVE_SIMD_ANYTRUE
-/* Fallback function in case gmx_anytrue_pr is not present */
-static gmx_inline gmx_bool
-gmx_anytrue_2xn_pr(gmx_mm_pr bool_S)
-{
- real bools_array[2*GMX_SIMD_WIDTH_HERE], *bools;
- gmx_bool any;
- int s;
-
- bools = gmx_simd_align_real(bools_array);
-
- gmx_store_pr(bools, bool_S);
-
- any = FALSE;
- for (s = 0; s < GMX_SIMD_WIDTH_HERE; s++)
- {
- if (GMX_SIMD_IS_TRUE(s))
- {
- any = TRUE;
- }
- }
-
- return any;
-}
-#endif
-
/* SIMD code for making a pair list of cell ci vs cell cjf-cjl
* for coordinates in packed format.
* Checks bouding box distances and possibly atom pair distances.
real rl2, float rbb2,
int *ndistc)
{
- const nbnxn_x_ci_simd_2xnn_t *work;
- const float *bb_ci;
+ const nbnxn_x_ci_simd_2xnn_t *work;
+ const nbnxn_bb_t *bb_ci;
- gmx_mm_pr jx_SSE, jy_SSE, jz_SSE;
+ gmx_simd_real_t jx_S, jy_S, jz_S;
- gmx_mm_pr dx_SSE0, dy_SSE0, dz_SSE0;
- gmx_mm_pr dx_SSE2, dy_SSE2, dz_SSE2;
+ gmx_simd_real_t dx_S0, dy_S0, dz_S0;
+ gmx_simd_real_t dx_S2, dy_S2, dz_S2;
- gmx_mm_pr rsq_SSE0;
- gmx_mm_pr rsq_SSE2;
+ gmx_simd_real_t rsq_S0;
+ gmx_simd_real_t rsq_S2;
- gmx_mm_pr wco_SSE0;
- gmx_mm_pr wco_SSE2;
- gmx_mm_pr wco_any_SSE;
+ gmx_simd_bool_t wco_S0;
+ gmx_simd_bool_t wco_S2;
+ gmx_simd_bool_t wco_any_S;
- gmx_mm_pr rc2_SSE;
+ gmx_simd_real_t rc2_S;
- gmx_bool InRange;
- float d2;
- int xind_f, xind_l, cj;
+ gmx_bool InRange;
+ float d2;
+ int xind_f, xind_l, cj;
cjf = CI_TO_CJ_SIMD_2XNN(cjf);
cjl = CI_TO_CJ_SIMD_2XNN(cjl+1) - 1;
bb_ci = nbl->work->bb_ci;
- rc2_SSE = gmx_set1_pr(rl2);
+ rc2_S = gmx_simd_set1_r(rl2);
InRange = FALSE;
while (!InRange && cjf <= cjl)
{
- d2 = subc_bb_dist2_sse(4, 0, bb_ci, cjf, gridj->bbj);
+#ifdef NBNXN_SEARCH_BB_SIMD4
+ d2 = subc_bb_dist2_simd4(0, bb_ci, cjf, gridj->bbj);
+#else
+ d2 = subc_bb_dist2(0, bb_ci, cjf, gridj->bbj);
+#endif
*ndistc += 2;
/* Check if the distance is within the distance where
{
xind_f = X_IND_CJ_SIMD_2XNN(CI_TO_CJ_SIMD_2XNN(gridj->cell0) + cjf);
- jx_SSE = gmx_load_hpr_hilo_pr(x_j+xind_f+0*STRIDE_S);
- jy_SSE = gmx_load_hpr_hilo_pr(x_j+xind_f+1*STRIDE_S);
- jz_SSE = gmx_load_hpr_hilo_pr(x_j+xind_f+2*STRIDE_S);
+ jx_S = gmx_load_hpr_hilo_pr(x_j+xind_f+0*STRIDE_S);
+ jy_S = gmx_load_hpr_hilo_pr(x_j+xind_f+1*STRIDE_S);
+ jz_S = gmx_load_hpr_hilo_pr(x_j+xind_f+2*STRIDE_S);
/* Calculate distance */
- dx_SSE0 = gmx_sub_pr(work->ix_SSE0, jx_SSE);
- dy_SSE0 = gmx_sub_pr(work->iy_SSE0, jy_SSE);
- dz_SSE0 = gmx_sub_pr(work->iz_SSE0, jz_SSE);
- dx_SSE2 = gmx_sub_pr(work->ix_SSE2, jx_SSE);
- dy_SSE2 = gmx_sub_pr(work->iy_SSE2, jy_SSE);
- dz_SSE2 = gmx_sub_pr(work->iz_SSE2, jz_SSE);
+ dx_S0 = gmx_simd_sub_r(work->ix_S0, jx_S);
+ dy_S0 = gmx_simd_sub_r(work->iy_S0, jy_S);
+ dz_S0 = gmx_simd_sub_r(work->iz_S0, jz_S);
+ dx_S2 = gmx_simd_sub_r(work->ix_S2, jx_S);
+ dy_S2 = gmx_simd_sub_r(work->iy_S2, jy_S);
+ dz_S2 = gmx_simd_sub_r(work->iz_S2, jz_S);
/* rsq = dx*dx+dy*dy+dz*dz */
- rsq_SSE0 = gmx_calc_rsq_pr(dx_SSE0, dy_SSE0, dz_SSE0);
- rsq_SSE2 = gmx_calc_rsq_pr(dx_SSE2, dy_SSE2, dz_SSE2);
+ rsq_S0 = gmx_simd_calc_rsq_r(dx_S0, dy_S0, dz_S0);
+ rsq_S2 = gmx_simd_calc_rsq_r(dx_S2, dy_S2, dz_S2);
- wco_SSE0 = gmx_cmplt_pr(rsq_SSE0, rc2_SSE);
- wco_SSE2 = gmx_cmplt_pr(rsq_SSE2, rc2_SSE);
+ wco_S0 = gmx_simd_cmplt_r(rsq_S0, rc2_S);
+ wco_S2 = gmx_simd_cmplt_r(rsq_S2, rc2_S);
- wco_any_SSE = gmx_or_pr(wco_SSE0, wco_SSE2);
+ wco_any_S = gmx_simd_or_b(wco_S0, wco_S2);
-#ifdef GMX_HAVE_SIMD_ANYTRUE
- InRange = gmx_anytrue_pr(wco_any_SSE);
-#else
- InRange = gmx_anytrue_2xn_pr(wco_any_SSE);
-#endif
+ InRange = gmx_simd_anytrue_b(wco_any_S);
- *ndistc += 2*GMX_SIMD_WIDTH_HERE;
+ *ndistc += 2*GMX_SIMD_REAL_WIDTH;
}
if (!InRange)
{
InRange = FALSE;
while (!InRange && cjl > cjf)
{
- d2 = subc_bb_dist2_sse(4, 0, bb_ci, cjl, gridj->bbj);
+#ifdef NBNXN_SEARCH_BB_SIMD4
+ d2 = subc_bb_dist2_simd4(0, bb_ci, cjl, gridj->bbj);
+#else
+ d2 = subc_bb_dist2(0, bb_ci, cjl, gridj->bbj);
+#endif
*ndistc += 2;
/* Check if the distance is within the distance where
{
xind_l = X_IND_CJ_SIMD_2XNN(CI_TO_CJ_SIMD_2XNN(gridj->cell0) + cjl);
- jx_SSE = gmx_load_hpr_hilo_pr(x_j+xind_l+0*STRIDE_S);
- jy_SSE = gmx_load_hpr_hilo_pr(x_j+xind_l+1*STRIDE_S);
- jz_SSE = gmx_load_hpr_hilo_pr(x_j+xind_l+2*STRIDE_S);
+ jx_S = gmx_load_hpr_hilo_pr(x_j+xind_l+0*STRIDE_S);
+ jy_S = gmx_load_hpr_hilo_pr(x_j+xind_l+1*STRIDE_S);
+ jz_S = gmx_load_hpr_hilo_pr(x_j+xind_l+2*STRIDE_S);
/* Calculate distance */
- dx_SSE0 = gmx_sub_pr(work->ix_SSE0, jx_SSE);
- dy_SSE0 = gmx_sub_pr(work->iy_SSE0, jy_SSE);
- dz_SSE0 = gmx_sub_pr(work->iz_SSE0, jz_SSE);
- dx_SSE2 = gmx_sub_pr(work->ix_SSE2, jx_SSE);
- dy_SSE2 = gmx_sub_pr(work->iy_SSE2, jy_SSE);
- dz_SSE2 = gmx_sub_pr(work->iz_SSE2, jz_SSE);
+ dx_S0 = gmx_simd_sub_r(work->ix_S0, jx_S);
+ dy_S0 = gmx_simd_sub_r(work->iy_S0, jy_S);
+ dz_S0 = gmx_simd_sub_r(work->iz_S0, jz_S);
+ dx_S2 = gmx_simd_sub_r(work->ix_S2, jx_S);
+ dy_S2 = gmx_simd_sub_r(work->iy_S2, jy_S);
+ dz_S2 = gmx_simd_sub_r(work->iz_S2, jz_S);
/* rsq = dx*dx+dy*dy+dz*dz */
- rsq_SSE0 = gmx_calc_rsq_pr(dx_SSE0, dy_SSE0, dz_SSE0);
- rsq_SSE2 = gmx_calc_rsq_pr(dx_SSE2, dy_SSE2, dz_SSE2);
+ rsq_S0 = gmx_simd_calc_rsq_r(dx_S0, dy_S0, dz_S0);
+ rsq_S2 = gmx_simd_calc_rsq_r(dx_S2, dy_S2, dz_S2);
- wco_SSE0 = gmx_cmplt_pr(rsq_SSE0, rc2_SSE);
- wco_SSE2 = gmx_cmplt_pr(rsq_SSE2, rc2_SSE);
+ wco_S0 = gmx_simd_cmplt_r(rsq_S0, rc2_S);
+ wco_S2 = gmx_simd_cmplt_r(rsq_S2, rc2_S);
- wco_any_SSE = gmx_or_pr(wco_SSE0, wco_SSE2);
+ wco_any_S = gmx_simd_or_b(wco_S0, wco_S2);
-#ifdef GMX_HAVE_SIMD_ANYTRUE
- InRange = gmx_anytrue_pr(wco_any_SSE);
-#else
- InRange = gmx_anytrue_2xn_pr(wco_any_SSE);
-#endif
+ InRange = gmx_simd_anytrue_b(wco_any_S);
- *ndistc += 2*GMX_SIMD_WIDTH_HERE;
+ *ndistc += 2*GMX_SIMD_REAL_WIDTH;
}
if (!InRange)
{
}
#undef STRIDE_S
-
-#undef gmx_mm_hpr
-#undef gmx_load_hpr
-#undef gmx_set1_hpr
-#undef gmx_2hpr_to_pr
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff