src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/kernelutil_x86_sse2_single.h

   1 /*
   2  *                This source code is part of
   3  *
   4  *                 G   R   O   M   A   C   S
   5  *
   6  * Copyright (c) 2011-2012, The GROMACS Development Team
   7  *
   8  * Gromacs is a library for molecular simulation and trajectory analysis,
   9  * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
  10  * a full list of developers and information, check out http://www.gromacs.org
  11  *
  12  * This program is free software; you can redistribute it and/or modify it under
  13  * the terms of the GNU Lesser General Public License as published by the Free
  14  * Software Foundation; either version 2 of the License, or (at your option) any
  15  * later version.
  16  * As a special exception, you may use this file as part of a free software
  17  * library without restriction.  Specifically, if other files instantiate
  18  * templates or use macros or inline functions from this file, or you compile
  19  * this file and link it with other files to produce an executable, this
  20  * file does not by itself cause the resulting executable to be covered by
  21  * the GNU Lesser General Public License.
  22  *
  23  * In plain-speak: do not worry about classes/macros/templates either - only
  24  * changes to the library have to be LGPL, not an application linking with it.
  25  *
  26  * To help fund GROMACS development, we humbly ask that you cite
  27  * the papers people have written on it - you can find them on the website!
  28  */
  29 #ifndef _kernelutil_x86_sse2_single_h_
  30 #define _kernelutil_x86_sse2_single_h_
  31
  32 /* We require SSE2 now! */
  33
  34 #include <math.h>
  35
  36 #include "gmx_x86_sse2.h"
  37
  38
  39 /* Normal sum of four xmm registers */
  40 #define gmx_mm_sum4_ps(t0,t1,t2,t3)  _mm_add_ps(_mm_add_ps(t0,t1),_mm_add_ps(t2,t3))
  41
  42 static gmx_inline __m128
  43 gmx_mm_calc_rsq_ps(__m128 dx, __m128 dy, __m128 dz)
  44 {
  45     return _mm_add_ps( _mm_add_ps( _mm_mul_ps(dx,dx), _mm_mul_ps(dy,dy) ), _mm_mul_ps(dz,dz) );
  46 }
  47
  48 static int
  49 gmx_mm_any_lt(__m128 a, __m128 b)
  50 {
  51     return _mm_movemask_ps(_mm_cmplt_ps(a,b));
  52 }
  53
  54 /* Load a single value from 1-4 places, merge into xmm register */
  55
  56 static __m128
  57 gmx_mm_load_4real_swizzle_ps(const float * gmx_restrict ptrA,
  58                              const float * gmx_restrict ptrB,
  59                              const float * gmx_restrict ptrC,
  60                              const float * gmx_restrict ptrD)
  61 {
  62     __m128 t1,t2;
  63
  64     t1 = _mm_unpacklo_ps(_mm_load_ss(ptrA),_mm_load_ss(ptrC));
  65     t2 = _mm_unpacklo_ps(_mm_load_ss(ptrB),_mm_load_ss(ptrD));
  66     return _mm_unpacklo_ps(t1,t2);
  67 }
  68
  69 static void
  70 gmx_mm_store_4real_swizzle_ps(float * gmx_restrict ptrA,
  71                               float * gmx_restrict ptrB,
  72                               float * gmx_restrict ptrC,
  73                               float * gmx_restrict ptrD,
  74                               __m128 xmm1)
  75 {
  76     __m128 t2,t3,t4;
  77
  78     t3       = _mm_movehl_ps(_mm_setzero_ps(),xmm1);
  79     t2       = _mm_shuffle_ps(xmm1,xmm1,_MM_SHUFFLE(1,1,1,1));
  80     t4       = _mm_shuffle_ps(t3,t3,_MM_SHUFFLE(1,1,1,1));
  81     _mm_store_ss(ptrA,xmm1);
  82     _mm_store_ss(ptrB,t2);
  83     _mm_store_ss(ptrC,t3);
  84     _mm_store_ss(ptrD,t4);
  85 }
  86
  87 /* Similar to store, but increments value in memory */
  88 static void
  89 gmx_mm_increment_4real_swizzle_ps(float * gmx_restrict ptrA,
  90                                   float * gmx_restrict ptrB,
  91                                   float * gmx_restrict ptrC,
  92                                   float * gmx_restrict ptrD, __m128 xmm1)
  93 {
  94     __m128 tmp;
  95
  96     tmp = gmx_mm_load_4real_swizzle_ps(ptrA,ptrB,ptrC,ptrD);
  97     tmp = _mm_add_ps(tmp,xmm1);
  98     gmx_mm_store_4real_swizzle_ps(ptrA,ptrB,ptrC,ptrD,tmp);
  99 }
 100
 101
 102 static void
 103 gmx_mm_load_4pair_swizzle_ps(const float * gmx_restrict p1,
 104                              const float * gmx_restrict p2,
 105                              const float * gmx_restrict p3,
 106                              const float * gmx_restrict p4,
 107                              __m128 * gmx_restrict c6,
 108                              __m128 * gmx_restrict c12)
 109 {
 110     __m128 t1,t2,t3,t4;
 111
 112     t1   = _mm_loadl_pi(_mm_setzero_ps(),(__m64 *)p1);   /* - - c12a  c6a */
 113     t2   = _mm_loadl_pi(_mm_setzero_ps(),(__m64 *)p2);   /* - - c12b  c6b */
 114     t3   = _mm_loadl_pi(_mm_setzero_ps(),(__m64 *)p3);   /* - - c12c  c6c */
 115     t4   = _mm_loadl_pi(_mm_setzero_ps(),(__m64 *)p4);   /* - - c12d  c6d */
 116     t1   = _mm_unpacklo_ps(t1,t2);
 117     t2   = _mm_unpacklo_ps(t3,t4);
 118     *c6  = _mm_movelh_ps(t1,t2);
 119     *c12 = _mm_movehl_ps(t2,t1);
 120 }
 121
 122 /* Routines to load 1-4 rvec from 4 places.
 123  * We mainly use these to load coordinates. The extra routines
 124  * are very efficient for the water-water loops, since we e.g.
 125  * know that a TIP4p water has 4 atoms, so we should load 12 floats+shuffle.
 126  */
 127
 128
 129 static gmx_inline void
 130 gmx_mm_load_shift_and_1rvec_broadcast_ps(const float * gmx_restrict xyz_shift,
 131         const float * gmx_restrict xyz,
 132         __m128 * gmx_restrict x1,
 133         __m128 * gmx_restrict y1,
 134         __m128 * gmx_restrict z1)
 135 {
 136     __m128 t1,t2,t3,t4;
 137
 138     t1   = _mm_loadl_pi(_mm_setzero_ps(),(__m64 *)xyz_shift);
 139     t2   = _mm_loadl_pi(_mm_setzero_ps(),(__m64 *)xyz);
 140     t3   = _mm_load_ss(xyz_shift+2);
 141     t4   = _mm_load_ss(xyz+2);
 142     t1   = _mm_add_ps(t1,t2);
 143     t3   = _mm_add_ss(t3,t4);
 144
 145     *x1  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(0,0,0,0));
 146     *y1  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(1,1,1,1));
 147     *z1  = _mm_shuffle_ps(t3,t3,_MM_SHUFFLE(0,0,0,0));
 148 }
 149
 150
 151 static gmx_inline void
 152 gmx_mm_load_shift_and_3rvec_broadcast_ps(const float * gmx_restrict xyz_shift,
 153         const float * gmx_restrict xyz,
 154         __m128 * gmx_restrict x1, __m128 * gmx_restrict y1, __m128 * gmx_restrict z1,
 155         __m128 * gmx_restrict x2, __m128 * gmx_restrict y2, __m128 * gmx_restrict z2,
 156         __m128 * gmx_restrict x3, __m128 * gmx_restrict y3, __m128 * gmx_restrict z3)
 157 {
 158     __m128 tA,tB;
 159     __m128 t1,t2,t3,t4,t5,t6;
 160
 161     tA   = _mm_loadl_pi(_mm_setzero_ps(),(__m64 *)xyz_shift);
 162     tB   = _mm_load_ss(xyz_shift+2);
 163
 164     t1   = _mm_loadu_ps(xyz);
 165     t2   = _mm_loadu_ps(xyz+4);
 166     t3   = _mm_load_ss(xyz+8);
 167
 168     tA   = _mm_movelh_ps(tA,tB);
 169     t4   = _mm_shuffle_ps(tA,tA,_MM_SHUFFLE(0,2,1,0));
 170     t5   = _mm_shuffle_ps(tA,tA,_MM_SHUFFLE(1,0,2,1));
 171     t6   = _mm_shuffle_ps(tA,tA,_MM_SHUFFLE(2,1,0,2));
 172
 173     t1   = _mm_add_ps(t1,t4);
 174     t2   = _mm_add_ps(t2,t5);
 175     t3   = _mm_add_ss(t3,t6);
 176
 177     *x1  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(0,0,0,0));
 178     *y1  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(1,1,1,1));
 179     *z1  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(2,2,2,2));
 180     *x2  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(3,3,3,3));
 181     *y2  = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(0,0,0,0));
 182     *z2  = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(1,1,1,1));
 183     *x3  = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(2,2,2,2));
 184     *y3  = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(3,3,3,3));
 185     *z3  = _mm_shuffle_ps(t3,t3,_MM_SHUFFLE(0,0,0,0));
 186 }
 187
 188
 189 static gmx_inline void
 190 gmx_mm_load_shift_and_4rvec_broadcast_ps(const float * gmx_restrict xyz_shift,
 191         const float * gmx_restrict xyz,
 192         __m128 * gmx_restrict x1, __m128 * gmx_restrict y1, __m128 * gmx_restrict z1,
 193         __m128 * gmx_restrict x2, __m128 * gmx_restrict y2, __m128 * gmx_restrict z2,
 194         __m128 * gmx_restrict x3, __m128 * gmx_restrict y3, __m128 * gmx_restrict z3,
 195         __m128 * gmx_restrict x4, __m128 * gmx_restrict y4, __m128 * gmx_restrict z4)
 196 {
 197     __m128 tA,tB;
 198     __m128 t1,t2,t3,t4,t5,t6;
 199
 200     tA   = _mm_castpd_ps(_mm_load_sd((const double *)xyz_shift));
 201     tB   = _mm_load_ss(xyz_shift+2);
 202
 203     t1   = _mm_loadu_ps(xyz);
 204     t2   = _mm_loadu_ps(xyz+4);
 205     t3   = _mm_loadu_ps(xyz+8);
 206
 207     tA   = _mm_movelh_ps(tA,tB);
 208     t4   = _mm_shuffle_ps(tA,tA,_MM_SHUFFLE(0,2,1,0));
 209     t5   = _mm_shuffle_ps(tA,tA,_MM_SHUFFLE(1,0,2,1));
 210     t6   = _mm_shuffle_ps(tA,tA,_MM_SHUFFLE(2,1,0,2));
 211
 212     t1   = _mm_add_ps(t1,t4);
 213     t2   = _mm_add_ps(t2,t5);
 214     t3   = _mm_add_ps(t3,t6);
 215
 216     *x1  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(0,0,0,0));
 217     *y1  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(1,1,1,1));
 218     *z1  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(2,2,2,2));
 219     *x2  = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(3,3,3,3));
 220     *y2  = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(0,0,0,0));
 221     *z2  = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(1,1,1,1));
 222     *x3  = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(2,2,2,2));
 223     *y3  = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(3,3,3,3));
 224     *z3  = _mm_shuffle_ps(t3,t3,_MM_SHUFFLE(0,0,0,0));
 225     *x4  = _mm_shuffle_ps(t3,t3,_MM_SHUFFLE(1,1,1,1));
 226     *y4  = _mm_shuffle_ps(t3,t3,_MM_SHUFFLE(2,2,2,2));
 227     *z4  = _mm_shuffle_ps(t3,t3,_MM_SHUFFLE(3,3,3,3));
 228 }
 229
 230
 231 static void
 232 gmx_mm_load_1rvec_4ptr_swizzle_ps(const float * gmx_restrict ptrA,
 233                                   const float * gmx_restrict ptrB,
 234                                   const float * gmx_restrict ptrC,
 235                                   const float * gmx_restrict ptrD,
 236                                   __m128 *      gmx_restrict x1,
 237                                   __m128 *      gmx_restrict y1,
 238                                   __m128 *      gmx_restrict z1)
 239 {
 240     __m128 t1,t2,t3,t4,t5,t6,t7,t8;
 241     t1   = _mm_castpd_ps(_mm_load_sd((const double *)ptrA));
 242     t2   = _mm_castpd_ps(_mm_load_sd((const double *)ptrB));
 243     t3   = _mm_castpd_ps(_mm_load_sd((const double *)ptrC));
 244     t4   = _mm_castpd_ps(_mm_load_sd((const double *)ptrD));
 245     t5 = _mm_load_ss(ptrA+2);
 246     t6 = _mm_load_ss(ptrB+2);
 247     t7 = _mm_load_ss(ptrC+2);
 248     t8 = _mm_load_ss(ptrD+2);
 249     t1 = _mm_unpacklo_ps(t1,t2);
 250     t3 = _mm_unpacklo_ps(t3,t4);
 251     *x1 = _mm_movelh_ps(t1,t3);
 252     *y1 = _mm_movehl_ps(t3,t1);
 253     t5  = _mm_unpacklo_ps(t5,t6);
 254     t7  = _mm_unpacklo_ps(t7,t8);
 255     *z1 = _mm_movelh_ps(t5,t7);
 256 }
 257
 258
 259 static void
 260 gmx_mm_load_3rvec_4ptr_swizzle_ps(const float * gmx_restrict ptrA,
 261                                   const float * gmx_restrict ptrB,
 262                                   const float * gmx_restrict ptrC,
 263                                   const float * gmx_restrict ptrD,
 264                                   __m128 * gmx_restrict x1, __m128 * gmx_restrict y1, __m128 * gmx_restrict z1,
 265                                   __m128 * gmx_restrict x2, __m128 * gmx_restrict y2, __m128 * gmx_restrict z2,
 266                                   __m128 * gmx_restrict x3, __m128 * gmx_restrict y3, __m128 * gmx_restrict z3)
 267 {
 268     __m128 t1,t2,t3,t4;
 269     t1            = _mm_loadu_ps(ptrA);
 270     t2            = _mm_loadu_ps(ptrB);
 271     t3            = _mm_loadu_ps(ptrC);
 272     t4            = _mm_loadu_ps(ptrD);
 273     _MM_TRANSPOSE4_PS(t1,t2,t3,t4);
 274     *x1           = t1;
 275     *y1           = t2;
 276     *z1           = t3;
 277     *x2           = t4;
 278     t1            = _mm_loadu_ps(ptrA+4);
 279     t2            = _mm_loadu_ps(ptrB+4);
 280     t3            = _mm_loadu_ps(ptrC+4);
 281     t4            = _mm_loadu_ps(ptrD+4);
 282     _MM_TRANSPOSE4_PS(t1,t2,t3,t4);
 283     *y2           = t1;
 284     *z2           = t2;
 285     *x3           = t3;
 286     *y3           = t4;
 287     t1            = _mm_load_ss(ptrA+8);
 288     t2            = _mm_load_ss(ptrB+8);
 289     t3            = _mm_load_ss(ptrC+8);
 290     t4            = _mm_load_ss(ptrD+8);
 291     t1            = _mm_unpacklo_ps(t1,t3);
 292     t3            = _mm_unpacklo_ps(t2,t4);
 293     *z3           = _mm_unpacklo_ps(t1,t3);
 294 }
 295
 296
 297 static void
 298 gmx_mm_load_4rvec_4ptr_swizzle_ps(const float * gmx_restrict ptrA,
 299                                   const float * gmx_restrict ptrB,
 300                                   const float * gmx_restrict ptrC,
 301                                   const float * gmx_restrict ptrD,
 302                                   __m128 * gmx_restrict x1, __m128 * gmx_restrict y1, __m128 * gmx_restrict z1,
 303                                   __m128 * gmx_restrict x2, __m128 * gmx_restrict y2, __m128 * gmx_restrict z2,
 304                                   __m128 * gmx_restrict x3, __m128 * gmx_restrict y3, __m128 * gmx_restrict z3,
 305                                   __m128 * gmx_restrict x4, __m128 * gmx_restrict y4, __m128 * gmx_restrict z4)
 306 {
 307     __m128 t1,t2,t3,t4;
 308     t1            = _mm_loadu_ps(ptrA);
 309     t2            = _mm_loadu_ps(ptrB);
 310     t3            = _mm_loadu_ps(ptrC);
 311     t4            = _mm_loadu_ps(ptrD);
 312     _MM_TRANSPOSE4_PS(t1,t2,t3,t4);
 313     *x1           = t1;
 314     *y1           = t2;
 315     *z1           = t3;
 316     *x2           = t4;
 317     t1            = _mm_loadu_ps(ptrA+4);
 318     t2            = _mm_loadu_ps(ptrB+4);
 319     t3            = _mm_loadu_ps(ptrC+4);
 320     t4            = _mm_loadu_ps(ptrD+4);
 321     _MM_TRANSPOSE4_PS(t1,t2,t3,t4);
 322     *y2           = t1;
 323     *z2           = t2;
 324     *x3           = t3;
 325     *y3           = t4;
 326     t1            = _mm_loadu_ps(ptrA+8);
 327     t2            = _mm_loadu_ps(ptrB+8);
 328     t3            = _mm_loadu_ps(ptrC+8);
 329     t4            = _mm_loadu_ps(ptrD+8);
 330     _MM_TRANSPOSE4_PS(t1,t2,t3,t4);
 331     *z3           = t1;
 332     *x4           = t2;
 333     *y4           = t3;
 334     *z4           = t4;
 335 }
 336
 337
 338 static void
 339 gmx_mm_decrement_1rvec_4ptr_swizzle_ps(float * gmx_restrict ptrA,
 340                                        float * gmx_restrict ptrB,
 341                                        float * gmx_restrict ptrC,
 342                                        float * gmx_restrict ptrD,
 343                                        __m128 x1, __m128 y1, __m128 z1)
 344 {
 345     __m128 t1,t2,t3,t4,t5,t6,t7,t8,t9,t10,t11,t12;
 346     t5          = _mm_unpacklo_ps(y1,z1);
 347     t6          = _mm_unpackhi_ps(y1,z1);
 348     t7          = _mm_shuffle_ps(x1,t5,_MM_SHUFFLE(1,0,0,0));
 349     t8          = _mm_shuffle_ps(x1,t5,_MM_SHUFFLE(3,2,0,1));
 350     t9          = _mm_shuffle_ps(x1,t6,_MM_SHUFFLE(1,0,0,2));
 351     t10         = _mm_shuffle_ps(x1,t6,_MM_SHUFFLE(3,2,0,3));
 352     t1          = _mm_load_ss(ptrA);
 353     t1          = _mm_loadh_pi(t1,(__m64 *)(ptrA+1));
 354     t1          = _mm_sub_ps(t1,t7);
 355     _mm_store_ss(ptrA,t1);
 356     _mm_storeh_pi((__m64 *)(ptrA+1),t1);
 357     t2          = _mm_load_ss(ptrB);
 358     t2          = _mm_loadh_pi(t2,(__m64 *)(ptrB+1));
 359     t2          = _mm_sub_ps(t2,t8);
 360     _mm_store_ss(ptrB,t2);
 361     _mm_storeh_pi((__m64 *)(ptrB+1),t2);
 362     t3          = _mm_load_ss(ptrC);
 363     t3          = _mm_loadh_pi(t3,(__m64 *)(ptrC+1));
 364     t3          = _mm_sub_ps(t3,t9);
 365     _mm_store_ss(ptrC,t3);
 366     _mm_storeh_pi((__m64 *)(ptrC+1),t3);
 367     t4          = _mm_load_ss(ptrD);
 368     t4          = _mm_loadh_pi(t4,(__m64 *)(ptrD+1));
 369     t4          = _mm_sub_ps(t4,t10);
 370     _mm_store_ss(ptrD,t4);
 371     _mm_storeh_pi((__m64 *)(ptrD+1),t4);
 372 }
 373
 374
 375
 376 #if defined (_MSC_VER) && defined(_M_IX86)
 377 /* Macro work-around since 32-bit MSVC cannot handle >3 xmm/ymm parameters */
 378 #define gmx_mm_decrement_3rvec_4ptr_swizzle_ps(ptrA,ptrB,ptrC,ptrD, \
 379 _x1,_y1,_z1,_x2,_y2,_z2,_x3,_y3,_z3) \
 380 {\
 381 __m128 _t1,_t2,_t3,_t4,_t5,_t6,_t7,_t8,_t9,_t10;\
 382 __m128 _t11,_t12,_t13,_t14,_t15,_t16,_t17,_t18,_t19;\
 383 __m128 _t20,_t21,_t22,_t23,_t24,_t25;\
 384 _t13         = _mm_unpackhi_ps(_x1,_y1);\
 385 _x1          = _mm_unpacklo_ps(_x1,_y1);\
 386 _t14         = _mm_unpackhi_ps(_z1,_x2);\
 387 _z1          = _mm_unpacklo_ps(_z1,_x2);\
 388 _t15         = _mm_unpackhi_ps(_y2,_z2);\
 389 _y2          = _mm_unpacklo_ps(_y2,_z2);\
 390 _t16         = _mm_unpackhi_ps(_x3,_y3);\
 391 _x3          = _mm_unpacklo_ps(_x3,_y3);\
 392 _t17         = _mm_shuffle_ps(_z3,_z3,_MM_SHUFFLE(0,0,0,1));\
 393 _t18         = _mm_movehl_ps(_z3,_z3);\
 394 _t19         = _mm_shuffle_ps(_t18,_t18,_MM_SHUFFLE(0,0,0,1));\
 395 _t20         = _mm_movelh_ps(_x1,_z1);\
 396 _t21         = _mm_movehl_ps(_z1,_x1);\
 397 _t22         = _mm_movelh_ps(_t13,_t14);\
 398 _t14         = _mm_movehl_ps(_t14,_t13);\
 399 _t23         = _mm_movelh_ps(_y2,_x3);\
 400 _t24         = _mm_movehl_ps(_x3,_y2);\
 401 _t25         = _mm_movelh_ps(_t15,_t16);\
 402 _t16         = _mm_movehl_ps(_t16,_t15);\
 403 _t1          = _mm_loadu_ps(ptrA);\
 404 _t2          = _mm_loadu_ps(ptrA+4);\
 405 _t3          = _mm_load_ss(ptrA+8);\
 406 _t1          = _mm_sub_ps(_t1,_t20);\
 407 _t2          = _mm_sub_ps(_t2,_t23);\
 408 _t3          = _mm_sub_ss(_t3,_z3);\
 409 _mm_storeu_ps(ptrA,_t1);\
 410 _mm_storeu_ps(ptrA+4,_t2);\
 411 _mm_store_ss(ptrA+8,_t3);\
 412 _t4          = _mm_loadu_ps(ptrB);\
 413 _t5          = _mm_loadu_ps(ptrB+4);\
 414 _t6          = _mm_load_ss(ptrB+8);\
 415 _t4          = _mm_sub_ps(_t4,_t21);\
 416 _t5          = _mm_sub_ps(_t5,_t24);\
 417 _t6          = _mm_sub_ss(_t6,_t17);\
 418 _mm_storeu_ps(ptrB,_t4);\
 419 _mm_storeu_ps(ptrB+4,_t5);\
 420 _mm_store_ss(ptrB+8,_t6);\
 421 _t7          = _mm_loadu_ps(ptrC);\
 422 _t8          = _mm_loadu_ps(ptrC+4);\
 423 _t9          = _mm_load_ss(ptrC+8);\
 424 _t7          = _mm_sub_ps(_t7,_t22);\
 425 _t8          = _mm_sub_ps(_t8,_t25);\
 426 _t9          = _mm_sub_ss(_t9,_t18);\
 427 _mm_storeu_ps(ptrC,_t7);\
 428 _mm_storeu_ps(ptrC+4,_t8);\
 429 _mm_store_ss(ptrC+8,_t9);\
 430 _t10         = _mm_loadu_ps(ptrD);\
 431 _t11         = _mm_loadu_ps(ptrD+4);\
 432 _t12         = _mm_load_ss(ptrD+8);\
 433 _t10         = _mm_sub_ps(_t10,_t14);\
 434 _t11         = _mm_sub_ps(_t11,_t16);\
 435 _t12         = _mm_sub_ss(_t12,_t19);\
 436 _mm_storeu_ps(ptrD,_t10);\
 437 _mm_storeu_ps(ptrD+4,_t11);\
 438 _mm_store_ss(ptrD+8,_t12);\
 439 }
 440 #else
 441 /* Real function for sane compilers */
 442 static void
 443 gmx_mm_decrement_3rvec_4ptr_swizzle_ps(float * gmx_restrict ptrA, float * gmx_restrict ptrB,
 444                                        float * gmx_restrict ptrC, float * gmx_restrict ptrD,
 445                                        __m128 x1, __m128 y1, __m128 z1,
 446                                        __m128 x2, __m128 y2, __m128 z2,
 447                                        __m128 x3, __m128 y3, __m128 z3)
 448 {
 449     __m128 t1,t2,t3,t4,t5,t6,t7,t8,t9,t10;
 450     __m128 t11,t12,t13,t14,t15,t16,t17,t18,t19;
 451     __m128 t20,t21,t22,t23,t24,t25;
 452
 453     t13         = _mm_unpackhi_ps(x1,y1);
 454     x1          = _mm_unpacklo_ps(x1,y1);
 455     t14         = _mm_unpackhi_ps(z1,x2);
 456     z1          = _mm_unpacklo_ps(z1,x2);
 457     t15         = _mm_unpackhi_ps(y2,z2);
 458     y2          = _mm_unpacklo_ps(y2,z2);
 459     t16         = _mm_unpackhi_ps(x3,y3);
 460     x3          = _mm_unpacklo_ps(x3,y3);
 461     t17         = _mm_shuffle_ps(z3,z3,_MM_SHUFFLE(0,0,0,1));
 462     t18         = _mm_movehl_ps(z3,z3);
 463     t19         = _mm_shuffle_ps(t18,t18,_MM_SHUFFLE(0,0,0,1));
 464     t20         = _mm_movelh_ps(x1,z1);
 465     t21         = _mm_movehl_ps(z1,x1);
 466     t22         = _mm_movelh_ps(t13,t14);
 467     t14         = _mm_movehl_ps(t14,t13);
 468     t23         = _mm_movelh_ps(y2,x3);
 469     t24         = _mm_movehl_ps(x3,y2);
 470     t25         = _mm_movelh_ps(t15,t16);
 471     t16         = _mm_movehl_ps(t16,t15);
 472     t1          = _mm_loadu_ps(ptrA);
 473     t2          = _mm_loadu_ps(ptrA+4);
 474     t3          = _mm_load_ss(ptrA+8);
 475     t1          = _mm_sub_ps(t1,t20);
 476     t2          = _mm_sub_ps(t2,t23);
 477     t3          = _mm_sub_ss(t3,z3);
 478     _mm_storeu_ps(ptrA,t1);
 479     _mm_storeu_ps(ptrA+4,t2);
 480     _mm_store_ss(ptrA+8,t3);
 481     t4          = _mm_loadu_ps(ptrB);
 482     t5          = _mm_loadu_ps(ptrB+4);
 483     t6          = _mm_load_ss(ptrB+8);
 484     t4          = _mm_sub_ps(t4,t21);
 485     t5          = _mm_sub_ps(t5,t24);
 486     t6          = _mm_sub_ss(t6,t17);
 487     _mm_storeu_ps(ptrB,t4);
 488     _mm_storeu_ps(ptrB+4,t5);
 489     _mm_store_ss(ptrB+8,t6);
 490     t7          = _mm_loadu_ps(ptrC);
 491     t8          = _mm_loadu_ps(ptrC+4);
 492     t9          = _mm_load_ss(ptrC+8);
 493     t7          = _mm_sub_ps(t7,t22);
 494     t8          = _mm_sub_ps(t8,t25);
 495     t9          = _mm_sub_ss(t9,t18);
 496     _mm_storeu_ps(ptrC,t7);
 497     _mm_storeu_ps(ptrC+4,t8);
 498     _mm_store_ss(ptrC+8,t9);
 499     t10         = _mm_loadu_ps(ptrD);
 500     t11         = _mm_loadu_ps(ptrD+4);
 501     t12         = _mm_load_ss(ptrD+8);
 502     t10         = _mm_sub_ps(t10,t14);
 503     t11         = _mm_sub_ps(t11,t16);
 504     t12         = _mm_sub_ss(t12,t19);
 505     _mm_storeu_ps(ptrD,t10);
 506     _mm_storeu_ps(ptrD+4,t11);
 507     _mm_store_ss(ptrD+8,t12);
 508 }
 509 #endif
 510
 511
 512 #if defined (_MSC_VER) && defined(_M_IX86)
 513 /* Macro work-around since 32-bit MSVC cannot handle >3 xmm/ymm parameters */
 514 #define gmx_mm_decrement_4rvec_4ptr_swizzle_ps(ptrA,ptrB,ptrC,ptrD, \
 515 _x1,_y1,_z1,_x2,_y2,_z2,_x3,_y3,_z3,_x4,_y4,_z4) \
 516 {\
 517 __m128 _t1,_t2,_t3,_t4,_t5,_t6,_t7,_t8,_t9,_t10,_t11;\
 518 __m128 _t12,_t13,_t14,_t15,_t16,_t17,_t18,_t19,_t20,_t21,_t22;\
 519 __m128 _t23,_t24;\
 520 _t13         = _mm_unpackhi_ps(_x1,_y1);\
 521 _x1          = _mm_unpacklo_ps(_x1,_y1);\
 522 _t14         = _mm_unpackhi_ps(_z1,_x2);\
 523 _z1          = _mm_unpacklo_ps(_z1,_x2);\
 524 _t15         = _mm_unpackhi_ps(_y2,_z2);\
 525 _y2          = _mm_unpacklo_ps(_y2,_z2);\
 526 _t16         = _mm_unpackhi_ps(_x3,_y3);\
 527 _x3          = _mm_unpacklo_ps(_x3,_y3);\
 528 _t17         = _mm_unpackhi_ps(_z3,_x4);\
 529 _z3          = _mm_unpacklo_ps(_z3,_x4);\
 530 _t18         = _mm_unpackhi_ps(_y4,_z4);\
 531 _y4          = _mm_unpacklo_ps(_y4,_z4);\
 532 _t19         = _mm_movelh_ps(_x1,_z1);\
 533 _z1          = _mm_movehl_ps(_z1,_x1);\
 534 _t20         = _mm_movelh_ps(_t13,_t14);\
 535 _t14         = _mm_movehl_ps(_t14,_t13);\
 536 _t21         = _mm_movelh_ps(_y2,_x3);\
 537 _x3          = _mm_movehl_ps(_x3,_y2);\
 538 _t22         = _mm_movelh_ps(_t15,_t16);\
 539 _t16         = _mm_movehl_ps(_t16,_t15);\
 540 _t23         = _mm_movelh_ps(_z3,_y4);\
 541 _y4          = _mm_movehl_ps(_y4,_z3);\
 542 _t24         = _mm_movelh_ps(_t17,_t18);\
 543 _t18         = _mm_movehl_ps(_t18,_t17);\
 544 _t1          = _mm_loadu_ps(ptrA);\
 545 _t2          = _mm_loadu_ps(ptrA+4);\
 546 _t3          = _mm_loadu_ps(ptrA+8);\
 547 _t1          = _mm_sub_ps(_t1,_t19);\
 548 _t2          = _mm_sub_ps(_t2,_t21);\
 549 _t3          = _mm_sub_ps(_t3,_t23);\
 550 _mm_storeu_ps(ptrA,_t1);\
 551 _mm_storeu_ps(ptrA+4,_t2);\
 552 _mm_storeu_ps(ptrA+8,_t3);\
 553 _t4          = _mm_loadu_ps(ptrB);\
 554 _t5          = _mm_loadu_ps(ptrB+4);\
 555 _t6          = _mm_loadu_ps(ptrB+8);\
 556 _t4          = _mm_sub_ps(_t4,_z1);\
 557 _t5          = _mm_sub_ps(_t5,_x3);\
 558 _t6          = _mm_sub_ps(_t6,_y4);\
 559 _mm_storeu_ps(ptrB,_t4);\
 560 _mm_storeu_ps(ptrB+4,_t5);\
 561 _mm_storeu_ps(ptrB+8,_t6);\
 562 _t7          = _mm_loadu_ps(ptrC);\
 563 _t8          = _mm_loadu_ps(ptrC+4);\
 564 _t9          = _mm_loadu_ps(ptrC+8);\
 565 _t7          = _mm_sub_ps(_t7,_t20);\
 566 _t8          = _mm_sub_ps(_t8,_t22);\
 567 _t9          = _mm_sub_ps(_t9,_t24);\
 568 _mm_storeu_ps(ptrC,_t7);\
 569 _mm_storeu_ps(ptrC+4,_t8);\
 570 _mm_storeu_ps(ptrC+8,_t9);\
 571 _t10         = _mm_loadu_ps(ptrD);\
 572 _t11         = _mm_loadu_ps(ptrD+4);\
 573 _t12         = _mm_loadu_ps(ptrD+8);\
 574 _t10         = _mm_sub_ps(_t10,_t14);\
 575 _t11         = _mm_sub_ps(_t11,_t16);\
 576 _t12         = _mm_sub_ps(_t12,_t18);\
 577 _mm_storeu_ps(ptrD,_t10);\
 578 _mm_storeu_ps(ptrD+4,_t11);\
 579 _mm_storeu_ps(ptrD+8,_t12);\
 580 }
 581 #else
 582 /* Real function for sane compilers */
 583 static void
 584 gmx_mm_decrement_4rvec_4ptr_swizzle_ps(float * gmx_restrict ptrA, float * gmx_restrict ptrB,
 585                                        float * gmx_restrict ptrC, float * gmx_restrict ptrD,
 586                                        __m128 x1, __m128 y1, __m128 z1,
 587                                        __m128 x2, __m128 y2, __m128 z2,
 588                                        __m128 x3, __m128 y3, __m128 z3,
 589                                        __m128 x4, __m128 y4, __m128 z4)
 590 {
 591     __m128 t1,t2,t3,t4,t5,t6,t7,t8,t9,t10,t11;
 592     __m128 t12,t13,t14,t15,t16,t17,t18,t19,t20,t21,t22;
 593     __m128 t23,t24;
 594     t13         = _mm_unpackhi_ps(x1,y1);
 595     x1          = _mm_unpacklo_ps(x1,y1);
 596     t14         = _mm_unpackhi_ps(z1,x2);
 597     z1          = _mm_unpacklo_ps(z1,x2);
 598     t15         = _mm_unpackhi_ps(y2,z2);
 599     y2          = _mm_unpacklo_ps(y2,z2);
 600     t16         = _mm_unpackhi_ps(x3,y3);
 601     x3          = _mm_unpacklo_ps(x3,y3);
 602     t17         = _mm_unpackhi_ps(z3,x4);
 603     z3          = _mm_unpacklo_ps(z3,x4);
 604     t18         = _mm_unpackhi_ps(y4,z4);
 605     y4          = _mm_unpacklo_ps(y4,z4);
 606     t19         = _mm_movelh_ps(x1,z1);
 607     z1          = _mm_movehl_ps(z1,x1);
 608     t20         = _mm_movelh_ps(t13,t14);
 609     t14         = _mm_movehl_ps(t14,t13);
 610     t21         = _mm_movelh_ps(y2,x3);
 611     x3          = _mm_movehl_ps(x3,y2);
 612     t22         = _mm_movelh_ps(t15,t16);
 613     t16         = _mm_movehl_ps(t16,t15);
 614     t23         = _mm_movelh_ps(z3,y4);
 615     y4          = _mm_movehl_ps(y4,z3);
 616     t24         = _mm_movelh_ps(t17,t18);
 617     t18         = _mm_movehl_ps(t18,t17);
 618     t1          = _mm_loadu_ps(ptrA);
 619     t2          = _mm_loadu_ps(ptrA+4);
 620     t3          = _mm_loadu_ps(ptrA+8);
 621     t1          = _mm_sub_ps(t1,t19);
 622     t2          = _mm_sub_ps(t2,t21);
 623     t3          = _mm_sub_ps(t3,t23);
 624     _mm_storeu_ps(ptrA,t1);
 625     _mm_storeu_ps(ptrA+4,t2);
 626     _mm_storeu_ps(ptrA+8,t3);
 627     t4          = _mm_loadu_ps(ptrB);
 628     t5          = _mm_loadu_ps(ptrB+4);
 629     t6          = _mm_loadu_ps(ptrB+8);
 630     t4          = _mm_sub_ps(t4,z1);
 631     t5          = _mm_sub_ps(t5,x3);
 632     t6          = _mm_sub_ps(t6,y4);
 633     _mm_storeu_ps(ptrB,t4);
 634     _mm_storeu_ps(ptrB+4,t5);
 635     _mm_storeu_ps(ptrB+8,t6);
 636     t7          = _mm_loadu_ps(ptrC);
 637     t8          = _mm_loadu_ps(ptrC+4);
 638     t9          = _mm_loadu_ps(ptrC+8);
 639     t7          = _mm_sub_ps(t7,t20);
 640     t8          = _mm_sub_ps(t8,t22);
 641     t9          = _mm_sub_ps(t9,t24);
 642     _mm_storeu_ps(ptrC,t7);
 643     _mm_storeu_ps(ptrC+4,t8);
 644     _mm_storeu_ps(ptrC+8,t9);
 645     t10         = _mm_loadu_ps(ptrD);
 646     t11         = _mm_loadu_ps(ptrD+4);
 647     t12         = _mm_loadu_ps(ptrD+8);
 648     t10         = _mm_sub_ps(t10,t14);
 649     t11         = _mm_sub_ps(t11,t16);
 650     t12         = _mm_sub_ps(t12,t18);
 651     _mm_storeu_ps(ptrD,t10);
 652     _mm_storeu_ps(ptrD+4,t11);
 653     _mm_storeu_ps(ptrD+8,t12);
 654 }
 655 #endif
 656
 657
 658 static gmx_inline void
 659 gmx_mm_update_iforce_1atom_swizzle_ps(__m128 fix1, __m128 fiy1, __m128 fiz1,
 660                                       float * gmx_restrict fptr,
 661                                       float * gmx_restrict fshiftptr)
 662 {
 663     __m128 t1,t2,t3;
 664
 665     /* transpose data */
 666     t1 = fix1;
 667     _MM_TRANSPOSE4_PS(fix1,t1,fiy1,fiz1);
 668     fix1 = _mm_add_ps(_mm_add_ps(fix1,t1), _mm_add_ps(fiy1,fiz1));
 669
 670     t2 = _mm_load_ss(fptr);
 671     t2 = _mm_loadh_pi(t2,(__m64 *)(fptr+1));
 672     t3 = _mm_load_ss(fshiftptr);
 673     t3 = _mm_loadh_pi(t3,(__m64 *)(fshiftptr+1));
 674
 675     t2 = _mm_add_ps(t2,fix1);
 676     t3 = _mm_add_ps(t3,fix1);
 677
 678     _mm_store_ss(fptr,t2);
 679     _mm_storeh_pi((__m64 *)(fptr+1),t2);
 680     _mm_store_ss(fshiftptr,t3);
 681     _mm_storeh_pi((__m64 *)(fshiftptr+1),t3);
 682 }
 683
 684 #if defined (_MSC_VER) && defined(_M_IX86)
 685 /* Macro work-around since 32-bit MSVC cannot handle >3 xmm/ymm parameters */
 686 #define gmx_mm_update_iforce_3atom_swizzle_ps(fix1,fiy1,fiz1,fix2,fiy2,fiz2,fix3,fiy3,fiz3, \
 687                                               fptr,fshiftptr) \
 688 {\
 689     __m128 _t1,_t2,_t3,_t4;\
 690 \
 691     _MM_TRANSPOSE4_PS(fix1,fiy1,fiz1,fix2);\
 692     _MM_TRANSPOSE4_PS(fiy2,fiz2,fix3,fiy3);\
 693     _t2   = _mm_movehl_ps(_mm_setzero_ps(),fiz3);\
 694     _t1   = _mm_shuffle_ps(fiz3,fiz3,_MM_SHUFFLE(0,0,0,1));\
 695     _t3   = _mm_shuffle_ps(_t2,_t2,_MM_SHUFFLE(0,0,0,1));\
 696     fix1 = _mm_add_ps(_mm_add_ps(fix1,fiy1), _mm_add_ps(fiz1,fix2));\
 697     fiy2 = _mm_add_ps(_mm_add_ps(fiy2,fiz2), _mm_add_ps(fix3,fiy3));\
 698     fiz3 = _mm_add_ss(_mm_add_ps(fiz3,_t1)  , _mm_add_ps(_t2,_t3));\
 699     _mm_storeu_ps(fptr,  _mm_add_ps(fix1,_mm_loadu_ps(fptr)  ));\
 700     _mm_storeu_ps(fptr+4,_mm_add_ps(fiy2,_mm_loadu_ps(fptr+4)));\
 701     _mm_store_ss (fptr+8,_mm_add_ss(fiz3,_mm_load_ss(fptr+8) ));\
 702     _t4 = _mm_load_ss(fshiftptr+2);\
 703     _t4 = _mm_loadh_pi(_t4,(__m64 *)(fshiftptr));\
 704     _t1 = _mm_shuffle_ps(fiz3,fix1,_MM_SHUFFLE(1,0,0,0));\
 705     _t2 = _mm_shuffle_ps(fix1,fiy2,_MM_SHUFFLE(3,2,2,2));\
 706     _t3 = _mm_shuffle_ps(fiy2,fix1,_MM_SHUFFLE(3,3,0,1));\
 707     _t3 = _mm_shuffle_ps(_t3  ,_t3  ,_MM_SHUFFLE(1,2,0,0));\
 708     _t1 = _mm_add_ps(_t1,_t2);\
 709     _t3 = _mm_add_ps(_t3,_t4);\
 710     _t1 = _mm_add_ps(_t1,_t3);\
 711     _mm_store_ss(fshiftptr+2,_t1);\
 712     _mm_storeh_pi((__m64 *)(fshiftptr),_t1);\
 713 }
 714 #else
 715 /* Real function for sane compilers */
 716 static gmx_inline void
 717 gmx_mm_update_iforce_3atom_swizzle_ps(__m128 fix1, __m128 fiy1, __m128 fiz1,
 718                                       __m128 fix2, __m128 fiy2, __m128 fiz2,
 719                                       __m128 fix3, __m128 fiy3, __m128 fiz3,
 720                                       float * gmx_restrict fptr,
 721                                       float * gmx_restrict fshiftptr)
 722 {
 723     __m128 t1,t2,t3,t4;
 724
 725     /* transpose data */
 726     _MM_TRANSPOSE4_PS(fix1,fiy1,fiz1,fix2);
 727     _MM_TRANSPOSE4_PS(fiy2,fiz2,fix3,fiy3);
 728     t2   = _mm_movehl_ps(_mm_setzero_ps(),fiz3);
 729     t1   = _mm_shuffle_ps(fiz3,fiz3,_MM_SHUFFLE(0,0,0,1));
 730     t3   = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(0,0,0,1));
 731
 732     fix1 = _mm_add_ps(_mm_add_ps(fix1,fiy1), _mm_add_ps(fiz1,fix2));
 733     fiy2 = _mm_add_ps(_mm_add_ps(fiy2,fiz2), _mm_add_ps(fix3,fiy3));
 734     fiz3 = _mm_add_ss(_mm_add_ps(fiz3,t1)  , _mm_add_ps(t2,t3));
 735
 736     _mm_storeu_ps(fptr,  _mm_add_ps(fix1,_mm_loadu_ps(fptr)  ));
 737     _mm_storeu_ps(fptr+4,_mm_add_ps(fiy2,_mm_loadu_ps(fptr+4)));
 738     _mm_store_ss (fptr+8,_mm_add_ss(fiz3,_mm_load_ss(fptr+8) ));
 739
 740     t4 = _mm_load_ss(fshiftptr+2);
 741     t4 = _mm_loadh_pi(t4,(__m64 *)(fshiftptr));
 742
 743     t1 = _mm_shuffle_ps(fiz3,fix1,_MM_SHUFFLE(1,0,0,0));   /* fiy1 fix1  -   fiz3 */
 744     t2 = _mm_shuffle_ps(fix1,fiy2,_MM_SHUFFLE(3,2,2,2));   /* fiy3 fix3  -   fiz1 */
 745     t3 = _mm_shuffle_ps(fiy2,fix1,_MM_SHUFFLE(3,3,0,1));   /* fix2 fix2 fiy2 fiz2 */
 746     t3 = _mm_shuffle_ps(t3  ,t3  ,_MM_SHUFFLE(1,2,0,0));   /* fiy2 fix2  -   fiz2 */
 747
 748     t1 = _mm_add_ps(t1,t2);
 749     t3 = _mm_add_ps(t3,t4);
 750     t1 = _mm_add_ps(t1,t3); /* y x - z */
 751
 752     _mm_store_ss(fshiftptr+2,t1);
 753     _mm_storeh_pi((__m64 *)(fshiftptr),t1);
 754 }
 755 #endif
 756
 757 #if defined (_MSC_VER) && defined(_M_IX86)
 758 /* Macro work-around since 32-bit MSVC cannot handle >3 xmm/ymm parameters */
 759 #define gmx_mm_update_iforce_4atom_swizzle_ps(fix1,fiy1,fiz1,fix2,fiy2,fiz2,fix3,fiy3,fiz3,fix4,fiy4,fiz4, \
 760                                               fptr,fshiftptr) \
 761 {\
 762     __m128 _t1,_t2,_t3,_t4,_t5;\
 763     _MM_TRANSPOSE4_PS(fix1,fiy1,fiz1,fix2);\
 764     _MM_TRANSPOSE4_PS(fiy2,fiz2,fix3,fiy3);\
 765     _MM_TRANSPOSE4_PS(fiz3,fix4,fiy4,fiz4);\
 766     fix1 = _mm_add_ps(_mm_add_ps(fix1,fiy1), _mm_add_ps(fiz1,fix2));\
 767     fiy2 = _mm_add_ps(_mm_add_ps(fiy2,fiz2), _mm_add_ps(fix3,fiy3));\
 768     fiz3 = _mm_add_ps(_mm_add_ps(fiz3,fix4), _mm_add_ps(fiy4,fiz4));\
 769     _mm_storeu_ps(fptr,  _mm_add_ps(fix1,_mm_loadu_ps(fptr)  ));\
 770     _mm_storeu_ps(fptr+4,_mm_add_ps(fiy2,_mm_loadu_ps(fptr+4)));\
 771     _mm_storeu_ps(fptr+8,_mm_add_ps(fiz3,_mm_loadu_ps(fptr+8)));\
 772     _t5 = _mm_load_ss(fshiftptr+2);\
 773     _t5 = _mm_loadh_pi(_t5,(__m64 *)(fshiftptr));\
 774     _t1 = _mm_shuffle_ps(fix1,fix1,_MM_SHUFFLE(1,0,2,2));\
 775     _t2 = _mm_shuffle_ps(fiy2,fiy2,_MM_SHUFFLE(3,2,1,1));\
 776     _t3 = _mm_shuffle_ps(fiz3,fiz3,_MM_SHUFFLE(2,1,0,0));\
 777     _t4 = _mm_shuffle_ps(fix1,fiy2,_MM_SHUFFLE(0,0,3,3));\
 778     _t4 = _mm_shuffle_ps(fiz3,_t4  ,_MM_SHUFFLE(2,0,3,3));\
 779     _t1 = _mm_add_ps(_t1,_t2);\
 780     _t3 = _mm_add_ps(_t3,_t4);\
 781     _t1 = _mm_add_ps(_t1,_t3);\
 782     _t5 = _mm_add_ps(_t5,_t1);\
 783     _mm_store_ss(fshiftptr+2,_t5);\
 784     _mm_storeh_pi((__m64 *)(fshiftptr),_t5);\
 785 }
 786 #else
 787 /* Real function for sane compilers */
 788 static gmx_inline void
 789 gmx_mm_update_iforce_4atom_swizzle_ps(__m128 fix1, __m128 fiy1, __m128 fiz1,
 790                                       __m128 fix2, __m128 fiy2, __m128 fiz2,
 791                                       __m128 fix3, __m128 fiy3, __m128 fiz3,
 792                                       __m128 fix4, __m128 fiy4, __m128 fiz4,
 793                                       float * gmx_restrict fptr,
 794                                       float * gmx_restrict fshiftptr)
 795 {
 796     __m128 t1,t2,t3,t4,t5;
 797
 798     /* transpose data */
 799     _MM_TRANSPOSE4_PS(fix1,fiy1,fiz1,fix2);
 800     _MM_TRANSPOSE4_PS(fiy2,fiz2,fix3,fiy3);
 801     _MM_TRANSPOSE4_PS(fiz3,fix4,fiy4,fiz4);
 802
 803     fix1 = _mm_add_ps(_mm_add_ps(fix1,fiy1), _mm_add_ps(fiz1,fix2));
 804     fiy2 = _mm_add_ps(_mm_add_ps(fiy2,fiz2), _mm_add_ps(fix3,fiy3));
 805     fiz3 = _mm_add_ps(_mm_add_ps(fiz3,fix4), _mm_add_ps(fiy4,fiz4));
 806
 807     _mm_storeu_ps(fptr,  _mm_add_ps(fix1,_mm_loadu_ps(fptr)  ));
 808     _mm_storeu_ps(fptr+4,_mm_add_ps(fiy2,_mm_loadu_ps(fptr+4)));
 809     _mm_storeu_ps(fptr+8,_mm_add_ps(fiz3,_mm_loadu_ps(fptr+8)));
 810
 811     t5 = _mm_load_ss(fshiftptr+2);
 812     t5 = _mm_loadh_pi(t5,(__m64 *)(fshiftptr));
 813
 814     t1 = _mm_shuffle_ps(fix1,fix1,_MM_SHUFFLE(1,0,2,2));
 815     t2 = _mm_shuffle_ps(fiy2,fiy2,_MM_SHUFFLE(3,2,1,1));
 816     t3 = _mm_shuffle_ps(fiz3,fiz3,_MM_SHUFFLE(2,1,0,0));
 817     t4 = _mm_shuffle_ps(fix1,fiy2,_MM_SHUFFLE(0,0,3,3));
 818     t4 = _mm_shuffle_ps(fiz3,t4  ,_MM_SHUFFLE(2,0,3,3));
 819
 820     t1 = _mm_add_ps(t1,t2);
 821     t3 = _mm_add_ps(t3,t4);
 822     t1 = _mm_add_ps(t1,t3);
 823     t5 = _mm_add_ps(t5,t1);
 824
 825     _mm_store_ss(fshiftptr+2,t5);
 826     _mm_storeh_pi((__m64 *)(fshiftptr),t5);
 827 }
 828 #endif
 829
 830
 831 static void
 832 gmx_mm_update_1pot_ps(__m128 pot1, float * gmx_restrict ptrA)
 833 {
 834     pot1 = _mm_add_ps(pot1,_mm_movehl_ps(_mm_setzero_ps(),pot1));
 835     pot1 = _mm_add_ps(pot1,_mm_shuffle_ps(pot1,pot1,_MM_SHUFFLE(0,0,0,1)));
 836     _mm_store_ss(ptrA,_mm_add_ss(pot1,_mm_load_ss(ptrA)));
 837 }
 838
 839 static void
 840 gmx_mm_update_2pot_ps(__m128 pot1, float * gmx_restrict ptrA,
 841                       __m128 pot2, float * gmx_restrict ptrB)
 842 {
 843     __m128 t1,t2;
 844     t1   = _mm_movehl_ps(pot2,pot1);
 845     t2   = _mm_movelh_ps(pot1,pot2);
 846     t1   = _mm_add_ps(t1,t2);
 847     t2   = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(3,3,1,1));
 848     pot1 = _mm_add_ps(t1,t2);
 849     pot2 = _mm_movehl_ps(t2,pot1);
 850     _mm_store_ss(ptrA,_mm_add_ss(pot1,_mm_load_ss(ptrA)));
 851     _mm_store_ss(ptrB,_mm_add_ss(pot2,_mm_load_ss(ptrB)));
 852 }
 853
 854
 855 #endif /* _kernelutil_x86_sse2_single_h_ */