src/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/kernelutil_x86_avx_128_fma_double.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.
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  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  *
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  27  * the papers people have written on it - you can find them on the website!
  28  */
  29 #ifndef _kernelutil_x86_avx_128_fma_double_h_
  30 #define _kernelutil_x86_avx_128_fma_double_h_
  31
  32 #include "gmx_x86_avx_128_fma.h"
  33
  34
  35 static int
  36 gmx_mm_any_lt(__m128d a, __m128d b)
  37 {
  38     return _mm_movemask_pd(_mm_cmplt_pd(a,b));
  39 }
  40
  41
  42 static gmx_inline __m128d
  43 gmx_mm_calc_rsq_pd(__m128d dx, __m128d dy, __m128d dz)
  44 {
  45     return _mm_macc_pd(dx,dx,_mm_macc_pd(dy,dy,_mm_mul_pd(dz,dz)));
  46 }
  47
  48 /* Normal sum of four ymm registers */
  49 #define gmx_mm_sum4_pd(t0,t1,t2,t3)  _mm_add_pd(_mm_add_pd(t0,t1),_mm_add_pd(t2,t3))
  50
  51
  52
  53 /* Load a double value from 1-2 places, merge into xmm register */
  54
  55
  56 static __m128d
  57 gmx_mm_load_2real_swizzle_pd(const double * gmx_restrict ptrA,
  58                              const double * gmx_restrict ptrB)
  59 {
  60     return _mm_unpacklo_pd(_mm_load_sd(ptrA),_mm_load_sd(ptrB));
  61 }
  62
  63 static __m128d
  64 gmx_mm_load_1real_pd(const double * gmx_restrict ptrA)
  65 {
  66     return _mm_load_sd(ptrA);
  67 }
  68
  69
  70 static void
  71 gmx_mm_store_2real_swizzle_pd(double * gmx_restrict ptrA,
  72                               double * gmx_restrict ptrB,
  73                               __m128d xmm1)
  74 {
  75     __m128d t2;
  76
  77     t2       = _mm_unpackhi_pd(xmm1,xmm1);
  78     _mm_store_sd(ptrA,xmm1);
  79     _mm_store_sd(ptrB,t2);
  80 }
  81
  82 static void
  83 gmx_mm_store_1real_pd(double * gmx_restrict ptrA, __m128d xmm1)
  84 {
  85     _mm_store_sd(ptrA,xmm1);
  86 }
  87
  88
  89 /* Similar to store, but increments value in memory */
  90 static void
  91 gmx_mm_increment_2real_swizzle_pd(double * gmx_restrict ptrA,
  92                                   double * gmx_restrict ptrB, __m128d xmm1)
  93 {
  94     __m128d t1;
  95
  96     t1   = _mm_unpackhi_pd(xmm1,xmm1);
  97     xmm1 = _mm_add_sd(xmm1,_mm_load_sd(ptrA));
  98     t1   = _mm_add_sd(t1,_mm_load_sd(ptrB));
  99     _mm_store_sd(ptrA,xmm1);
 100     _mm_store_sd(ptrB,t1);
 101 }
 102
 103 static void
 104 gmx_mm_increment_1real_pd(double * gmx_restrict ptrA, __m128d xmm1)
 105 {
 106     __m128d tmp;
 107
 108     tmp = gmx_mm_load_1real_pd(ptrA);
 109     tmp = _mm_add_sd(tmp,xmm1);
 110     gmx_mm_store_1real_pd(ptrA,tmp);
 111 }
 112
 113
 114
 115 static gmx_inline void
 116 gmx_mm_load_2pair_swizzle_pd(const double * gmx_restrict p1,
 117                              const double * gmx_restrict p2,
 118                              __m128d * gmx_restrict c6,
 119                              __m128d * gmx_restrict c12)
 120 {
 121     __m128d t1,t2,t3;
 122
 123     /* The c6/c12 array should be aligned */
 124     t1   = _mm_loadu_pd(p1);
 125     t2   = _mm_loadu_pd(p2);
 126     *c6  = _mm_unpacklo_pd(t1,t2);
 127     *c12 = _mm_unpackhi_pd(t1,t2);
 128 }
 129
 130 static gmx_inline void
 131 gmx_mm_load_1pair_swizzle_pd(const double * gmx_restrict p1,
 132                              __m128d * gmx_restrict c6,
 133                              __m128d * gmx_restrict c12)
 134 {
 135     *c6     = _mm_load_sd(p1);
 136     *c12    = _mm_load_sd(p1+1);
 137 }
 138
 139
 140 static gmx_inline void
 141 gmx_mm_load_shift_and_1rvec_broadcast_pd(const double * gmx_restrict xyz_shift,
 142         const double * gmx_restrict xyz,
 143         __m128d * gmx_restrict x1,
 144         __m128d * gmx_restrict y1,
 145         __m128d * gmx_restrict z1)
 146 {
 147     __m128d mem_xy,mem_z,mem_sxy,mem_sz;
 148
 149     mem_xy  = _mm_loadu_pd(xyz);
 150     mem_z   = _mm_load_sd(xyz+2);
 151     mem_sxy = _mm_loadu_pd(xyz_shift);
 152     mem_sz  = _mm_load_sd(xyz_shift+2);
 153
 154     mem_xy  = _mm_add_pd(mem_xy,mem_sxy);
 155     mem_z   = _mm_add_pd(mem_z,mem_sz);
 156
 157     *x1  = _mm_shuffle_pd(mem_xy,mem_xy,_MM_SHUFFLE2(0,0));
 158     *y1  = _mm_shuffle_pd(mem_xy,mem_xy,_MM_SHUFFLE2(1,1));
 159     *z1  = _mm_shuffle_pd(mem_z,mem_z,_MM_SHUFFLE2(0,0));
 160 }
 161
 162
 163 static gmx_inline void
 164 gmx_mm_load_shift_and_3rvec_broadcast_pd(const double * gmx_restrict xyz_shift,
 165         const double * gmx_restrict xyz,
 166         __m128d * gmx_restrict x1, __m128d * gmx_restrict y1, __m128d * gmx_restrict z1,
 167         __m128d * gmx_restrict x2, __m128d * gmx_restrict y2, __m128d * gmx_restrict z2,
 168         __m128d * gmx_restrict x3, __m128d * gmx_restrict y3, __m128d * gmx_restrict z3)
 169 {
 170     __m128d t1,t2,t3,t4,t5,sxy,sz,szx,syz;
 171
 172     t1  = _mm_loadu_pd(xyz);
 173     t2  = _mm_loadu_pd(xyz+2);
 174     t3  = _mm_loadu_pd(xyz+4);
 175     t4  = _mm_loadu_pd(xyz+6);
 176     t5  = _mm_load_sd(xyz+8);
 177
 178     sxy = _mm_loadu_pd(xyz_shift);
 179     sz  = _mm_load_sd(xyz_shift+2);
 180     szx = _mm_shuffle_pd(sz,sxy,_MM_SHUFFLE2(0,0));
 181     syz = _mm_shuffle_pd(sxy,sz,_MM_SHUFFLE2(0,1));
 182
 183     t1  = _mm_add_pd(t1,sxy);
 184     t2  = _mm_add_pd(t2,szx);
 185     t3  = _mm_add_pd(t3,syz);
 186     t4  = _mm_add_pd(t4,sxy);
 187     t5  = _mm_add_sd(t5,sz);
 188
 189     *x1  = _mm_shuffle_pd(t1,t1,_MM_SHUFFLE2(0,0));
 190     *y1  = _mm_shuffle_pd(t1,t1,_MM_SHUFFLE2(1,1));
 191     *z1  = _mm_shuffle_pd(t2,t2,_MM_SHUFFLE2(0,0));
 192     *x2  = _mm_shuffle_pd(t2,t2,_MM_SHUFFLE2(1,1));
 193     *y2  = _mm_shuffle_pd(t3,t3,_MM_SHUFFLE2(0,0));
 194     *z2  = _mm_shuffle_pd(t3,t3,_MM_SHUFFLE2(1,1));
 195     *x3  = _mm_shuffle_pd(t4,t4,_MM_SHUFFLE2(0,0));
 196     *y3  = _mm_shuffle_pd(t4,t4,_MM_SHUFFLE2(1,1));
 197     *z3  = _mm_shuffle_pd(t5,t5,_MM_SHUFFLE2(0,0));
 198 }
 199
 200
 201 static gmx_inline void
 202 gmx_mm_load_shift_and_4rvec_broadcast_pd(const double * gmx_restrict xyz_shift,
 203         const double * gmx_restrict xyz,
 204         __m128d * gmx_restrict x1, __m128d * gmx_restrict y1, __m128d * gmx_restrict z1,
 205         __m128d * gmx_restrict x2, __m128d * gmx_restrict y2, __m128d * gmx_restrict z2,
 206         __m128d * gmx_restrict x3, __m128d * gmx_restrict y3, __m128d * gmx_restrict z3,
 207         __m128d * gmx_restrict x4, __m128d * gmx_restrict y4, __m128d * gmx_restrict z4)
 208 {
 209     __m128d t1,t2,t3,t4,t5,t6,sxy,sz,szx,syz;
 210
 211     t1  = _mm_loadu_pd(xyz);
 212     t2  = _mm_loadu_pd(xyz+2);
 213     t3  = _mm_loadu_pd(xyz+4);
 214     t4  = _mm_loadu_pd(xyz+6);
 215     t5  = _mm_loadu_pd(xyz+8);
 216     t6  = _mm_loadu_pd(xyz+10);
 217
 218     sxy = _mm_loadu_pd(xyz_shift);
 219     sz  = _mm_load_sd(xyz_shift+2);
 220     szx = _mm_shuffle_pd(sz,sxy,_MM_SHUFFLE2(0,0));
 221     syz = _mm_shuffle_pd(sxy,sz,_MM_SHUFFLE2(0,1));
 222
 223     t1  = _mm_add_pd(t1,sxy);
 224     t2  = _mm_add_pd(t2,szx);
 225     t3  = _mm_add_pd(t3,syz);
 226     t4  = _mm_add_pd(t4,sxy);
 227     t5  = _mm_add_pd(t5,szx);
 228     t6  = _mm_add_pd(t6,syz);
 229
 230     *x1  = _mm_shuffle_pd(t1,t1,_MM_SHUFFLE2(0,0));
 231     *y1  = _mm_shuffle_pd(t1,t1,_MM_SHUFFLE2(1,1));
 232     *z1  = _mm_shuffle_pd(t2,t2,_MM_SHUFFLE2(0,0));
 233     *x2  = _mm_shuffle_pd(t2,t2,_MM_SHUFFLE2(1,1));
 234     *y2  = _mm_shuffle_pd(t3,t3,_MM_SHUFFLE2(0,0));
 235     *z2  = _mm_shuffle_pd(t3,t3,_MM_SHUFFLE2(1,1));
 236     *x3  = _mm_shuffle_pd(t4,t4,_MM_SHUFFLE2(0,0));
 237     *y3  = _mm_shuffle_pd(t4,t4,_MM_SHUFFLE2(1,1));
 238     *z3  = _mm_shuffle_pd(t5,t5,_MM_SHUFFLE2(0,0));
 239     *x4  = _mm_shuffle_pd(t5,t5,_MM_SHUFFLE2(1,1));
 240     *y4  = _mm_shuffle_pd(t6,t6,_MM_SHUFFLE2(0,0));
 241     *z4  = _mm_shuffle_pd(t6,t6,_MM_SHUFFLE2(1,1));
 242 }
 243
 244
 245
 246 static gmx_inline void
 247 gmx_mm_load_1rvec_1ptr_swizzle_pd(const double * gmx_restrict p1,
 248                                   __m128d * gmx_restrict x, __m128d * gmx_restrict y, __m128d * gmx_restrict z)
 249 {
 250     *x            = _mm_load_sd(p1);
 251     *y            = _mm_load_sd(p1+1);
 252     *z            = _mm_load_sd(p1+2);
 253 }
 254
 255 static gmx_inline void
 256 gmx_mm_load_3rvec_1ptr_swizzle_pd(const double * gmx_restrict p1,
 257                                   __m128d * gmx_restrict x1, __m128d * gmx_restrict y1, __m128d * gmx_restrict z1,
 258                                   __m128d * gmx_restrict x2, __m128d * gmx_restrict y2, __m128d * gmx_restrict z2,
 259                                   __m128d * gmx_restrict x3, __m128d * gmx_restrict y3, __m128d * gmx_restrict z3)
 260 {
 261     *x1            = _mm_load_sd(p1);
 262     *y1            = _mm_load_sd(p1+1);
 263     *z1            = _mm_load_sd(p1+2);
 264     *x2            = _mm_load_sd(p1+3);
 265     *y2            = _mm_load_sd(p1+4);
 266     *z2            = _mm_load_sd(p1+5);
 267     *x3            = _mm_load_sd(p1+6);
 268     *y3            = _mm_load_sd(p1+7);
 269     *z3            = _mm_load_sd(p1+8);
 270 }
 271
 272 static gmx_inline void
 273 gmx_mm_load_4rvec_1ptr_swizzle_pd(const double * gmx_restrict p1,
 274                                   __m128d * gmx_restrict x1, __m128d * gmx_restrict y1, __m128d * gmx_restrict z1,
 275                                   __m128d * gmx_restrict x2, __m128d * gmx_restrict y2, __m128d * gmx_restrict z2,
 276                                   __m128d * gmx_restrict x3, __m128d * gmx_restrict y3, __m128d * gmx_restrict z3,
 277                                   __m128d * gmx_restrict x4, __m128d * gmx_restrict y4, __m128d * gmx_restrict z4)
 278 {
 279     *x1            = _mm_load_sd(p1);
 280     *y1            = _mm_load_sd(p1+1);
 281     *z1            = _mm_load_sd(p1+2);
 282     *x2            = _mm_load_sd(p1+3);
 283     *y2            = _mm_load_sd(p1+4);
 284     *z2            = _mm_load_sd(p1+5);
 285     *x3            = _mm_load_sd(p1+6);
 286     *y3            = _mm_load_sd(p1+7);
 287     *z3            = _mm_load_sd(p1+8);
 288     *x4            = _mm_load_sd(p1+9);
 289     *y4            = _mm_load_sd(p1+10);
 290     *z4            = _mm_load_sd(p1+11);
 291 }
 292
 293
 294 static gmx_inline void
 295 gmx_mm_load_1rvec_2ptr_swizzle_pd(const double * gmx_restrict ptrA,
 296                                   const double * gmx_restrict ptrB,
 297                                   __m128d * gmx_restrict x1, __m128d * gmx_restrict y1, __m128d * gmx_restrict z1)
 298 {
 299     __m128d t1,t2,t3,t4;
 300     t1           = _mm_loadu_pd(ptrA);
 301     t2           = _mm_loadu_pd(ptrB);
 302     t3           = _mm_load_sd(ptrA+2);
 303     t4           = _mm_load_sd(ptrB+2);
 304     GMX_MM_TRANSPOSE2_PD(t1,t2);
 305     *x1          = t1;
 306     *y1          = t2;
 307     *z1          = _mm_unpacklo_pd(t3,t4);
 308 }
 309
 310 static gmx_inline void
 311 gmx_mm_load_3rvec_2ptr_swizzle_pd(const double * gmx_restrict ptrA, const double * gmx_restrict ptrB,
 312                                   __m128d * gmx_restrict x1, __m128d * gmx_restrict y1, __m128d * gmx_restrict z1,
 313                                   __m128d * gmx_restrict x2, __m128d * gmx_restrict y2, __m128d * gmx_restrict z2,
 314                                   __m128d * gmx_restrict x3, __m128d * gmx_restrict y3, __m128d * gmx_restrict z3)
 315 {
 316     __m128d t1,t2,t3,t4,t5,t6,t7,t8,t9,t10;
 317     t1           = _mm_loadu_pd(ptrA);
 318     t2           = _mm_loadu_pd(ptrB);
 319     t3           = _mm_loadu_pd(ptrA+2);
 320     t4           = _mm_loadu_pd(ptrB+2);
 321     t5           = _mm_loadu_pd(ptrA+4);
 322     t6           = _mm_loadu_pd(ptrB+4);
 323     t7           = _mm_loadu_pd(ptrA+6);
 324     t8           = _mm_loadu_pd(ptrB+6);
 325     t9           = _mm_load_sd(ptrA+8);
 326     t10          = _mm_load_sd(ptrB+8);
 327     GMX_MM_TRANSPOSE2_PD(t1,t2);
 328     GMX_MM_TRANSPOSE2_PD(t3,t4);
 329     GMX_MM_TRANSPOSE2_PD(t5,t6);
 330     GMX_MM_TRANSPOSE2_PD(t7,t8);
 331     *x1          = t1;
 332     *y1          = t2;
 333     *z1          = t3;
 334     *x2          = t4;
 335     *y2          = t5;
 336     *z2          = t6;
 337     *x3          = t7;
 338     *y3          = t8;
 339     *z3          = _mm_unpacklo_pd(t9,t10);
 340 }
 341
 342
 343 static gmx_inline void
 344 gmx_mm_load_4rvec_2ptr_swizzle_pd(const double * gmx_restrict ptrA, const double * gmx_restrict ptrB,
 345                                   __m128d * gmx_restrict x1, __m128d * gmx_restrict y1, __m128d * gmx_restrict z1,
 346                                   __m128d * gmx_restrict x2, __m128d * gmx_restrict y2, __m128d * gmx_restrict z2,
 347                                   __m128d * gmx_restrict x3, __m128d * gmx_restrict y3, __m128d * gmx_restrict z3,
 348                                   __m128d * gmx_restrict x4, __m128d * gmx_restrict y4, __m128d * gmx_restrict z4)
 349 {
 350     __m128d t1,t2,t3,t4,t5,t6;
 351     t1           = _mm_loadu_pd(ptrA);
 352     t2           = _mm_loadu_pd(ptrB);
 353     t3           = _mm_loadu_pd(ptrA+2);
 354     t4           = _mm_loadu_pd(ptrB+2);
 355     t5           = _mm_loadu_pd(ptrA+4);
 356     t6           = _mm_loadu_pd(ptrB+4);
 357     GMX_MM_TRANSPOSE2_PD(t1,t2);
 358     GMX_MM_TRANSPOSE2_PD(t3,t4);
 359     GMX_MM_TRANSPOSE2_PD(t5,t6);
 360     *x1          = t1;
 361     *y1          = t2;
 362     *z1          = t3;
 363     *x2          = t4;
 364     *y2          = t5;
 365     *z2          = t6;
 366     t1           = _mm_loadu_pd(ptrA+6);
 367     t2           = _mm_loadu_pd(ptrB+6);
 368     t3           = _mm_loadu_pd(ptrA+8);
 369     t4           = _mm_loadu_pd(ptrB+8);
 370     t5           = _mm_loadu_pd(ptrA+10);
 371     t6           = _mm_loadu_pd(ptrB+10);
 372     GMX_MM_TRANSPOSE2_PD(t1,t2);
 373     GMX_MM_TRANSPOSE2_PD(t3,t4);
 374     GMX_MM_TRANSPOSE2_PD(t5,t6);
 375     *x3          = t1;
 376     *y3          = t2;
 377     *z3          = t3;
 378     *x4          = t4;
 379     *y4          = t5;
 380     *z4          = t6;
 381 }
 382
 383
 384 /* Routines to decrement rvec in memory, typically use for j particle force updates */
 385 static void
 386 gmx_mm_decrement_1rvec_1ptr_swizzle_pd(double * gmx_restrict ptrA,
 387                                        __m128d x1, __m128d y1, __m128d z1)
 388 {
 389     __m128d t1,t2,t3;
 390
 391     t1           = _mm_load_sd(ptrA);
 392     t2           = _mm_load_sd(ptrA+1);
 393     t3           = _mm_load_sd(ptrA+2);
 394
 395     t1           = _mm_sub_sd(t1,x1);
 396     t2           = _mm_sub_sd(t2,y1);
 397     t3           = _mm_sub_sd(t3,z1);
 398     _mm_store_sd(ptrA,t1);
 399     _mm_store_sd(ptrA+1,t2);
 400     _mm_store_sd(ptrA+2,t3);
 401 }
 402
 403
 404 #if defined (_MSC_VER) && defined(_M_IX86)
 405 /* Macro work-around since 32-bit MSVC cannot handle >3 xmm/ymm parameters */
 406 #define gmx_mm_decrement_3rvec_1ptr_swizzle_pd(ptrA,_x1,_y1,_z1,_x2,_y2,_z2,_x3,_y3,_z3) \
 407 {\
 408 __m128d _t1,_t2,_t3,_t4,_t5;\
 409 _t1          = _mm_loadu_pd(ptrA);\
 410 _t2          = _mm_loadu_pd(ptrA+2);\
 411 _t3          = _mm_loadu_pd(ptrA+4);\
 412 _t4          = _mm_loadu_pd(ptrA+6);\
 413 _t5          = _mm_load_sd(ptrA+8);\
 414 _x1          = _mm_unpacklo_pd(_x1,_y1);\
 415 _z1          = _mm_unpacklo_pd(_z1,_x2);\
 416 _y2          = _mm_unpacklo_pd(_y2,_z2);\
 417 _x3          = _mm_unpacklo_pd(_x3,_y3);\
 418 _t1          = _mm_sub_pd(_t1,_x1);\
 419 _t2          = _mm_sub_pd(_t2,_z1);\
 420 _t3          = _mm_sub_pd(_t3,_y2);\
 421 _t4          = _mm_sub_pd(_t4,_x3);\
 422 _t5          = _mm_sub_sd(_t5,_z3);\
 423 _mm_storeu_pd(ptrA,_t1);\
 424 _mm_storeu_pd(ptrA+2,_t2);\
 425 _mm_storeu_pd(ptrA+4,_t3);\
 426 _mm_storeu_pd(ptrA+6,_t4);\
 427 _mm_store_sd(ptrA+8,_t5);\
 428 }
 429 #else
 430 /* Real function for sane compilers */
 431 static void
 432 gmx_mm_decrement_3rvec_1ptr_swizzle_pd(double * gmx_restrict ptrA,
 433                                        __m128d x1, __m128d y1, __m128d z1,
 434                                        __m128d x2, __m128d y2, __m128d z2,
 435                                        __m128d x3, __m128d y3, __m128d z3)
 436 {
 437     __m128d t1,t2,t3,t4,t5;
 438
 439     t1          = _mm_loadu_pd(ptrA);
 440     t2          = _mm_loadu_pd(ptrA+2);
 441     t3          = _mm_loadu_pd(ptrA+4);
 442     t4          = _mm_loadu_pd(ptrA+6);
 443     t5          = _mm_load_sd(ptrA+8);
 444
 445     x1          = _mm_unpacklo_pd(x1,y1);
 446     z1          = _mm_unpacklo_pd(z1,x2);
 447     y2          = _mm_unpacklo_pd(y2,z2);
 448     x3          = _mm_unpacklo_pd(x3,y3);
 449     /* nothing to be done for z3 */
 450
 451     t1          = _mm_sub_pd(t1,x1);
 452     t2          = _mm_sub_pd(t2,z1);
 453     t3          = _mm_sub_pd(t3,y2);
 454     t4          = _mm_sub_pd(t4,x3);
 455     t5          = _mm_sub_sd(t5,z3);
 456     _mm_storeu_pd(ptrA,t1);
 457     _mm_storeu_pd(ptrA+2,t2);
 458     _mm_storeu_pd(ptrA+4,t3);
 459     _mm_storeu_pd(ptrA+6,t4);
 460     _mm_store_sd(ptrA+8,t5);
 461 }
 462 #endif
 463
 464
 465 #if defined (_MSC_VER) && defined(_M_IX86)
 466 /* Macro work-around since 32-bit MSVC cannot handle >3 xmm/ymm parameters */
 467 #define gmx_mm_decrement_4rvec_1ptr_swizzle_pd(ptrA,_x1,_y1,_z1,_x2,_y2,_z2,_x3,_y3,_z3,_x4,_y4,_z4) \
 468 {\
 469 __m128d _t1,_t2,_t3,_t4,_t5,_t6;\
 470 _t1          = _mm_loadu_pd(ptrA);\
 471 _t2          = _mm_loadu_pd(ptrA+2);\
 472 _t3          = _mm_loadu_pd(ptrA+4);\
 473 _t4          = _mm_loadu_pd(ptrA+6);\
 474 _t5          = _mm_loadu_pd(ptrA+8);\
 475 _t6          = _mm_loadu_pd(ptrA+10);\
 476 _x1          = _mm_unpacklo_pd(_x1,_y1);\
 477 _z1          = _mm_unpacklo_pd(_z1,_x2);\
 478 _y2          = _mm_unpacklo_pd(_y2,_z2);\
 479 _x3          = _mm_unpacklo_pd(_x3,_y3);\
 480 _z3          = _mm_unpacklo_pd(_z3,_x4);\
 481 _y4          = _mm_unpacklo_pd(_y4,_z4);\
 482 _mm_storeu_pd(ptrA,    _mm_sub_pd( _t1,_x1 ));\
 483 _mm_storeu_pd(ptrA+2,  _mm_sub_pd( _t2,_z1 ));\
 484 _mm_storeu_pd(ptrA+4,  _mm_sub_pd( _t3,_y2 ));\
 485 _mm_storeu_pd(ptrA+6,  _mm_sub_pd( _t4,_x3 ));\
 486 _mm_storeu_pd(ptrA+8,  _mm_sub_pd( _t5,_z3 ));\
 487 _mm_storeu_pd(ptrA+10, _mm_sub_pd( _t6,_y4 ));\
 488 }
 489 #else
 490 /* Real function for sane compilers */
 491 static void
 492 gmx_mm_decrement_4rvec_1ptr_swizzle_pd(double * gmx_restrict ptrA,
 493                                        __m128d x1, __m128d y1, __m128d z1,
 494                                        __m128d x2, __m128d y2, __m128d z2,
 495                                        __m128d x3, __m128d y3, __m128d z3,
 496                                        __m128d x4, __m128d y4, __m128d z4)
 497 {
 498     __m128d t1,t2,t3,t4,t5,t6;
 499
 500     t1          = _mm_loadu_pd(ptrA);
 501     t2          = _mm_loadu_pd(ptrA+2);
 502     t3          = _mm_loadu_pd(ptrA+4);
 503     t4          = _mm_loadu_pd(ptrA+6);
 504     t5          = _mm_loadu_pd(ptrA+8);
 505     t6          = _mm_loadu_pd(ptrA+10);
 506
 507     x1          = _mm_unpacklo_pd(x1,y1);
 508     z1          = _mm_unpacklo_pd(z1,x2);
 509     y2          = _mm_unpacklo_pd(y2,z2);
 510     x3          = _mm_unpacklo_pd(x3,y3);
 511     z3          = _mm_unpacklo_pd(z3,x4);
 512     y4          = _mm_unpacklo_pd(y4,z4);
 513
 514     _mm_storeu_pd(ptrA,    _mm_sub_pd( t1,x1 ));
 515     _mm_storeu_pd(ptrA+2,  _mm_sub_pd( t2,z1 ));
 516     _mm_storeu_pd(ptrA+4,  _mm_sub_pd( t3,y2 ));
 517     _mm_storeu_pd(ptrA+6,  _mm_sub_pd( t4,x3 ));
 518     _mm_storeu_pd(ptrA+8,  _mm_sub_pd( t5,z3 ));
 519     _mm_storeu_pd(ptrA+10, _mm_sub_pd( t6,y4 ));
 520 }
 521 #endif
 522
 523
 524 static void
 525 gmx_mm_decrement_1rvec_2ptr_swizzle_pd(double * gmx_restrict ptrA, double * gmx_restrict ptrB,
 526                                        __m128d x1, __m128d y1, __m128d z1)
 527 {
 528     __m128d t1,t2,t3,t4,t5,t6,t7;
 529
 530     t1          = _mm_loadu_pd(ptrA);
 531     t2          = _mm_load_sd(ptrA+2);
 532     t3          = _mm_loadu_pd(ptrB);
 533     t4          = _mm_load_sd(ptrB+2);
 534
 535     t5          = _mm_unpacklo_pd(x1,y1);
 536     t6          = _mm_unpackhi_pd(x1,y1);
 537     t7          = _mm_unpackhi_pd(z1,z1);
 538
 539     t1          = _mm_sub_pd(t1,t5);
 540     t2          = _mm_sub_sd(t2,z1);
 541
 542     t3          = _mm_sub_pd(t3,t6);
 543     t4          = _mm_sub_sd(t4,t7);
 544
 545     _mm_storeu_pd(ptrA,t1);
 546     _mm_store_sd(ptrA+2,t2);
 547     _mm_storeu_pd(ptrB,t3);
 548     _mm_store_sd(ptrB+2,t4);
 549 }
 550
 551
 552 #if defined (_MSC_VER) && defined(_M_IX86)
 553 /* Macro work-around since 32-bit MSVC cannot handle >3 xmm/ymm parameters */
 554 #define gmx_mm_decrement_3rvec_2ptr_swizzle_pd(ptrA,ptrB,_x1,_y1,_z1,_x2,_y2,_z2,_x3,_y3,_z3) \
 555 {\
 556 __m128d _t1,_t2,_t3,_t4,_t5,_t6,_t7,_t8,_t9,_t10;\
 557 __m128d _tA,_tB,_tC,_tD,_tE,_tF,_tG,_tH,_tI;\
 558 _t1          = _mm_loadu_pd(ptrA);\
 559 _t2          = _mm_loadu_pd(ptrA+2);\
 560 _t3          = _mm_loadu_pd(ptrA+4);\
 561 _t4          = _mm_loadu_pd(ptrA+6);\
 562 _t5          = _mm_load_sd(ptrA+8);\
 563 _t6          = _mm_loadu_pd(ptrB);\
 564 _t7          = _mm_loadu_pd(ptrB+2);\
 565 _t8          = _mm_loadu_pd(ptrB+4);\
 566 _t9          = _mm_loadu_pd(ptrB+6);\
 567 _t10         = _mm_load_sd(ptrB+8);\
 568 _tA          = _mm_unpacklo_pd(_x1,_y1);\
 569 _tB          = _mm_unpackhi_pd(_x1,_y1);\
 570 _tC          = _mm_unpacklo_pd(_z1,_x2);\
 571 _tD          = _mm_unpackhi_pd(_z1,_x2);\
 572 _tE          = _mm_unpacklo_pd(_y2,_z2);\
 573 _tF          = _mm_unpackhi_pd(_y2,_z2);\
 574 _tG          = _mm_unpacklo_pd(_x3,_y3);\
 575 _tH          = _mm_unpackhi_pd(_x3,_y3);\
 576 _tI          = _mm_unpackhi_pd(_z3,_z3);\
 577 _t1          = _mm_sub_pd(_t1,_tA);\
 578 _t2          = _mm_sub_pd(_t2,_tC);\
 579 _t3          = _mm_sub_pd(_t3,_tE);\
 580 _t4          = _mm_sub_pd(_t4,_tG);\
 581 _t5          = _mm_sub_sd(_t5,_z3);\
 582 _t6          = _mm_sub_pd(_t6,_tB);\
 583 _t7          = _mm_sub_pd(_t7,_tD);\
 584 _t8          = _mm_sub_pd(_t8,_tF);\
 585 _t9          = _mm_sub_pd(_t9,_tH);\
 586 _t10         = _mm_sub_sd(_t10,_tI);\
 587 _mm_storeu_pd(ptrA,_t1);\
 588 _mm_storeu_pd(ptrA+2,_t2);\
 589 _mm_storeu_pd(ptrA+4,_t3);\
 590 _mm_storeu_pd(ptrA+6,_t4);\
 591 _mm_store_sd(ptrA+8,_t5);\
 592 _mm_storeu_pd(ptrB,_t6);\
 593 _mm_storeu_pd(ptrB+2,_t7);\
 594 _mm_storeu_pd(ptrB+4,_t8);\
 595 _mm_storeu_pd(ptrB+6,_t9);\
 596 _mm_store_sd(ptrB+8,_t10);\
 597 }
 598 #else
 599 /* Real function for sane compilers */
 600 static void
 601 gmx_mm_decrement_3rvec_2ptr_swizzle_pd(double * gmx_restrict ptrA, double * gmx_restrict ptrB,
 602                                        __m128d x1, __m128d y1, __m128d z1,
 603                                        __m128d x2, __m128d y2, __m128d z2,
 604                                        __m128d x3, __m128d y3, __m128d z3)
 605 {
 606     __m128d t1,t2,t3,t4,t5,t6,t7,t8,t9,t10;
 607     __m128d tA,tB,tC,tD,tE,tF,tG,tH,tI;
 608
 609     t1          = _mm_loadu_pd(ptrA);
 610     t2          = _mm_loadu_pd(ptrA+2);
 611     t3          = _mm_loadu_pd(ptrA+4);
 612     t4          = _mm_loadu_pd(ptrA+6);
 613     t5          = _mm_load_sd(ptrA+8);
 614     t6          = _mm_loadu_pd(ptrB);
 615     t7          = _mm_loadu_pd(ptrB+2);
 616     t8          = _mm_loadu_pd(ptrB+4);
 617     t9          = _mm_loadu_pd(ptrB+6);
 618     t10         = _mm_load_sd(ptrB+8);
 619
 620     tA          = _mm_unpacklo_pd(x1,y1);
 621     tB          = _mm_unpackhi_pd(x1,y1);
 622     tC          = _mm_unpacklo_pd(z1,x2);
 623     tD          = _mm_unpackhi_pd(z1,x2);
 624     tE          = _mm_unpacklo_pd(y2,z2);
 625     tF          = _mm_unpackhi_pd(y2,z2);
 626     tG          = _mm_unpacklo_pd(x3,y3);
 627     tH          = _mm_unpackhi_pd(x3,y3);
 628     tI          = _mm_unpackhi_pd(z3,z3);
 629
 630     t1          = _mm_sub_pd(t1,tA);
 631     t2          = _mm_sub_pd(t2,tC);
 632     t3          = _mm_sub_pd(t3,tE);
 633     t4          = _mm_sub_pd(t4,tG);
 634     t5          = _mm_sub_sd(t5,z3);
 635
 636     t6          = _mm_sub_pd(t6,tB);
 637     t7          = _mm_sub_pd(t7,tD);
 638     t8          = _mm_sub_pd(t8,tF);
 639     t9          = _mm_sub_pd(t9,tH);
 640     t10         = _mm_sub_sd(t10,tI);
 641
 642     _mm_storeu_pd(ptrA,t1);
 643     _mm_storeu_pd(ptrA+2,t2);
 644     _mm_storeu_pd(ptrA+4,t3);
 645     _mm_storeu_pd(ptrA+6,t4);
 646     _mm_store_sd(ptrA+8,t5);
 647     _mm_storeu_pd(ptrB,t6);
 648     _mm_storeu_pd(ptrB+2,t7);
 649     _mm_storeu_pd(ptrB+4,t8);
 650     _mm_storeu_pd(ptrB+6,t9);
 651     _mm_store_sd(ptrB+8,t10);
 652 }
 653 #endif
 654
 655
 656 #if defined (_MSC_VER) && defined(_M_IX86)
 657 /* Macro work-around since 32-bit MSVC cannot handle >3 xmm/ymm parameters */
 658 #define gmx_mm_decrement_4rvec_2ptr_swizzle_pd(ptrA,ptrB,_x1,_y1,_z1,_x2,_y2,_z2,_x3,_y3,_z3,_x4,_y4,_z4) \
 659 {\
 660 __m128d _t1,_t2,_t3,_t4,_t5,_t6,_t7,_t8,_t9,_t10,_t11,_t12;\
 661 __m128d _tA,_tB,_tC,_tD,_tE,_tF,_tG,_tH,_tI,_tJ,_tK,_tL;\
 662 _t1          = _mm_loadu_pd(ptrA);\
 663 _t2          = _mm_loadu_pd(ptrA+2);\
 664 _t3          = _mm_loadu_pd(ptrA+4);\
 665 _t4          = _mm_loadu_pd(ptrA+6);\
 666 _t5          = _mm_loadu_pd(ptrA+8);\
 667 _t6          = _mm_loadu_pd(ptrA+10);\
 668 _t7          = _mm_loadu_pd(ptrB);\
 669 _t8          = _mm_loadu_pd(ptrB+2);\
 670 _t9          = _mm_loadu_pd(ptrB+4);\
 671 _t10         = _mm_loadu_pd(ptrB+6);\
 672 _t11         = _mm_loadu_pd(ptrB+8);\
 673 _t12         = _mm_loadu_pd(ptrB+10);\
 674 _tA          = _mm_unpacklo_pd(_x1,_y1);\
 675 _tB          = _mm_unpackhi_pd(_x1,_y1);\
 676 _tC          = _mm_unpacklo_pd(_z1,_x2);\
 677 _tD          = _mm_unpackhi_pd(_z1,_x2);\
 678 _tE          = _mm_unpacklo_pd(_y2,_z2);\
 679 _tF          = _mm_unpackhi_pd(_y2,_z2);\
 680 _tG          = _mm_unpacklo_pd(_x3,_y3);\
 681 _tH          = _mm_unpackhi_pd(_x3,_y3);\
 682 _tI          = _mm_unpacklo_pd(_z3,_x4);\
 683 _tJ          = _mm_unpackhi_pd(_z3,_x4);\
 684 _tK          = _mm_unpacklo_pd(_y4,_z4);\
 685 _tL          = _mm_unpackhi_pd(_y4,_z4);\
 686 _t1          = _mm_sub_pd(_t1,_tA);\
 687 _t2          = _mm_sub_pd(_t2,_tC);\
 688 _t3          = _mm_sub_pd(_t3,_tE);\
 689 _t4          = _mm_sub_pd(_t4,_tG);\
 690 _t5          = _mm_sub_pd(_t5,_tI);\
 691 _t6          = _mm_sub_pd(_t6,_tK);\
 692 _t7          = _mm_sub_pd(_t7,_tB);\
 693 _t8          = _mm_sub_pd(_t8,_tD);\
 694 _t9          = _mm_sub_pd(_t9,_tF);\
 695 _t10         = _mm_sub_pd(_t10,_tH);\
 696 _t11         = _mm_sub_pd(_t11,_tJ);\
 697 _t12         = _mm_sub_pd(_t12,_tL);\
 698 _mm_storeu_pd(ptrA,  _t1);\
 699 _mm_storeu_pd(ptrA+2,_t2);\
 700 _mm_storeu_pd(ptrA+4,_t3);\
 701 _mm_storeu_pd(ptrA+6,_t4);\
 702 _mm_storeu_pd(ptrA+8,_t5);\
 703 _mm_storeu_pd(ptrA+10,_t6);\
 704 _mm_storeu_pd(ptrB,  _t7);\
 705 _mm_storeu_pd(ptrB+2,_t8);\
 706 _mm_storeu_pd(ptrB+4,_t9);\
 707 _mm_storeu_pd(ptrB+6,_t10);\
 708 _mm_storeu_pd(ptrB+8,_t11);\
 709 _mm_storeu_pd(ptrB+10,_t12);\
 710 }
 711 #else
 712 /* Real function for sane compilers */
 713 static void
 714 gmx_mm_decrement_4rvec_2ptr_swizzle_pd(double * gmx_restrict ptrA, double * gmx_restrict ptrB,
 715                                        __m128d x1, __m128d y1, __m128d z1,
 716                                        __m128d x2, __m128d y2, __m128d z2,
 717                                        __m128d x3, __m128d y3, __m128d z3,
 718                                        __m128d x4, __m128d y4, __m128d z4)
 719 {
 720     __m128d t1,t2,t3,t4,t5,t6,t7,t8,t9,t10,t11,t12;
 721     __m128d tA,tB,tC,tD,tE,tF,tG,tH,tI,tJ,tK,tL;
 722
 723     t1          = _mm_loadu_pd(ptrA);
 724     t2          = _mm_loadu_pd(ptrA+2);
 725     t3          = _mm_loadu_pd(ptrA+4);
 726     t4          = _mm_loadu_pd(ptrA+6);
 727     t5          = _mm_loadu_pd(ptrA+8);
 728     t6          = _mm_loadu_pd(ptrA+10);
 729     t7          = _mm_loadu_pd(ptrB);
 730     t8          = _mm_loadu_pd(ptrB+2);
 731     t9          = _mm_loadu_pd(ptrB+4);
 732     t10         = _mm_loadu_pd(ptrB+6);
 733     t11         = _mm_loadu_pd(ptrB+8);
 734     t12         = _mm_loadu_pd(ptrB+10);
 735
 736     tA          = _mm_unpacklo_pd(x1,y1);
 737     tB          = _mm_unpackhi_pd(x1,y1);
 738     tC          = _mm_unpacklo_pd(z1,x2);
 739     tD          = _mm_unpackhi_pd(z1,x2);
 740     tE          = _mm_unpacklo_pd(y2,z2);
 741     tF          = _mm_unpackhi_pd(y2,z2);
 742     tG          = _mm_unpacklo_pd(x3,y3);
 743     tH          = _mm_unpackhi_pd(x3,y3);
 744     tI          = _mm_unpacklo_pd(z3,x4);
 745     tJ          = _mm_unpackhi_pd(z3,x4);
 746     tK          = _mm_unpacklo_pd(y4,z4);
 747     tL          = _mm_unpackhi_pd(y4,z4);
 748
 749     t1          = _mm_sub_pd(t1,tA);
 750     t2          = _mm_sub_pd(t2,tC);
 751     t3          = _mm_sub_pd(t3,tE);
 752     t4          = _mm_sub_pd(t4,tG);
 753     t5          = _mm_sub_pd(t5,tI);
 754     t6          = _mm_sub_pd(t6,tK);
 755
 756     t7          = _mm_sub_pd(t7,tB);
 757     t8          = _mm_sub_pd(t8,tD);
 758     t9          = _mm_sub_pd(t9,tF);
 759     t10         = _mm_sub_pd(t10,tH);
 760     t11         = _mm_sub_pd(t11,tJ);
 761     t12         = _mm_sub_pd(t12,tL);
 762
 763     _mm_storeu_pd(ptrA,  t1);
 764     _mm_storeu_pd(ptrA+2,t2);
 765     _mm_storeu_pd(ptrA+4,t3);
 766     _mm_storeu_pd(ptrA+6,t4);
 767     _mm_storeu_pd(ptrA+8,t5);
 768     _mm_storeu_pd(ptrA+10,t6);
 769     _mm_storeu_pd(ptrB,  t7);
 770     _mm_storeu_pd(ptrB+2,t8);
 771     _mm_storeu_pd(ptrB+4,t9);
 772     _mm_storeu_pd(ptrB+6,t10);
 773     _mm_storeu_pd(ptrB+8,t11);
 774     _mm_storeu_pd(ptrB+10,t12);
 775 }
 776 #endif
 777
 778
 779 static gmx_inline void
 780 gmx_mm_update_iforce_1atom_swizzle_pd(__m128d fix1, __m128d fiy1, __m128d fiz1,
 781                                       double * gmx_restrict fptr,
 782                                       double * gmx_restrict fshiftptr)
 783 {
 784     fix1 = _mm_hadd_pd(fix1,fiy1);
 785     fiz1 = _mm_hadd_pd(fiz1,fiz1);
 786
 787     _mm_storeu_pd( fptr, _mm_add_pd( _mm_loadu_pd(fptr), fix1 ));
 788     _mm_store_sd( fptr+2, _mm_add_sd( _mm_load_sd(fptr+2), fiz1 ));
 789
 790     _mm_storeu_pd( fshiftptr, _mm_add_pd( _mm_loadu_pd(fshiftptr), fix1 ));
 791     _mm_store_sd( fshiftptr+2, _mm_add_sd( _mm_load_sd(fshiftptr+2), fiz1 ));
 792 }
 793
 794 #if defined (_MSC_VER) && defined(_M_IX86)
 795 /* Macro work-around since 32-bit MSVC cannot handle >3 xmm/ymm parameters */
 796 #define gmx_mm_update_iforce_3atom_swizzle_pd(fix1,fiy1,fiz1,fix2,fiy2,fiz2,fix3,fiy3,fiz3, \
 797 fptr,fshiftptr) \
 798 {\
 799 __m128d _t1,_t2;\
 800 fix1 = _mm_hadd_pd(fix1,fiy1);\
 801 fiz1 = _mm_hadd_pd(fiz1,fix2);\
 802 fiy2 = _mm_hadd_pd(fiy2,fiz2);\
 803 fix3 = _mm_hadd_pd(fix3,fiy3);\
 804 fiz3 = _mm_hadd_pd(fiz3,fiz3);\
 805 _mm_storeu_pd( fptr, _mm_add_pd( _mm_loadu_pd(fptr), fix1 ));\
 806 _mm_storeu_pd( fptr+2, _mm_add_pd( _mm_loadu_pd(fptr+2), fiz1 ));\
 807 _mm_storeu_pd( fptr+4, _mm_add_pd( _mm_loadu_pd(fptr+4), fiy2 ));\
 808 _mm_storeu_pd( fptr+6, _mm_add_pd( _mm_loadu_pd(fptr+6), fix3 ));\
 809 _mm_store_sd( fptr+8, _mm_add_sd( _mm_load_sd(fptr+8), fiz3 ));\
 810 fix1 = _mm_add_pd(fix1,fix3);\
 811 _t1   = _mm_shuffle_pd(fiz1,fiy2,_MM_SHUFFLE2(0,1));\
 812 fix1 = _mm_add_pd(fix1,_t1);\
 813 _t2   = _mm_shuffle_pd(fiy2,fiy2,_MM_SHUFFLE2(1,1));\
 814 fiz1 = _mm_add_sd(fiz1,fiz3);\
 815 fiz1 = _mm_add_sd(fiz1,_t2);\
 816 _mm_storeu_pd( fshiftptr, _mm_add_pd( _mm_loadu_pd(fshiftptr), fix1 ));\
 817 _mm_store_sd( fshiftptr+2, _mm_add_sd( _mm_load_sd(fshiftptr+2), fiz1 ));\
 818 }
 819 #else
 820 /* Real function for sane compilers */
 821 static gmx_inline void
 822 gmx_mm_update_iforce_3atom_swizzle_pd(__m128d fix1, __m128d fiy1, __m128d fiz1,
 823                                       __m128d fix2, __m128d fiy2, __m128d fiz2,
 824                                       __m128d fix3, __m128d fiy3, __m128d fiz3,
 825                                       double * gmx_restrict fptr,
 826                                       double * gmx_restrict fshiftptr)
 827 {
 828     __m128d t1,t2;
 829
 830     fix1 = _mm_hadd_pd(fix1,fiy1);
 831     fiz1 = _mm_hadd_pd(fiz1,fix2);
 832     fiy2 = _mm_hadd_pd(fiy2,fiz2);
 833     fix3 = _mm_hadd_pd(fix3,fiy3);
 834     fiz3 = _mm_hadd_pd(fiz3,fiz3);
 835
 836     _mm_storeu_pd( fptr, _mm_add_pd( _mm_loadu_pd(fptr), fix1 ));
 837     _mm_storeu_pd( fptr+2, _mm_add_pd( _mm_loadu_pd(fptr+2), fiz1 ));
 838     _mm_storeu_pd( fptr+4, _mm_add_pd( _mm_loadu_pd(fptr+4), fiy2 ));
 839     _mm_storeu_pd( fptr+6, _mm_add_pd( _mm_loadu_pd(fptr+6), fix3 ));
 840     _mm_store_sd( fptr+8, _mm_add_sd( _mm_load_sd(fptr+8), fiz3 ));
 841
 842     fix1 = _mm_add_pd(fix1,fix3);
 843     t1   = _mm_shuffle_pd(fiz1,fiy2,_MM_SHUFFLE2(0,1));
 844     fix1 = _mm_add_pd(fix1,t1); /* x and y sums */
 845
 846     t2   = _mm_shuffle_pd(fiy2,fiy2,_MM_SHUFFLE2(1,1));
 847     fiz1 = _mm_add_sd(fiz1,fiz3);
 848     fiz1 = _mm_add_sd(fiz1,t2); /* z sum */
 849
 850     _mm_storeu_pd( fshiftptr, _mm_add_pd( _mm_loadu_pd(fshiftptr), fix1 ));
 851     _mm_store_sd( fshiftptr+2, _mm_add_sd( _mm_load_sd(fshiftptr+2), fiz1 ));
 852 }
 853 #endif
 854
 855 #if defined (_MSC_VER) && defined(_M_IX86)
 856 /* Macro work-around since 32-bit MSVC cannot handle >3 xmm/ymm parameters */
 857 #define gmx_mm_update_iforce_4atom_swizzle_pd(fix1,fiy1,fiz1,fix2,fiy2,fiz2,fix3,fiy3,fiz3,fix4,fiy4,fiz4, \
 858 fptr,fshiftptr) \
 859 {\
 860 __m128d _t1,_t2;\
 861 fix1 = _mm_hadd_pd(fix1,fiy1);\
 862 fiz1 = _mm_hadd_pd(fiz1,fix2);\
 863 fiy2 = _mm_hadd_pd(fiy2,fiz2);\
 864 fix3 = _mm_hadd_pd(fix3,fiy3);\
 865 fiz3 = _mm_hadd_pd(fiz3,fix4);\
 866 fiy4 = _mm_hadd_pd(fiy4,fiz4);\
 867 _mm_storeu_pd( fptr, _mm_add_pd( _mm_loadu_pd(fptr),       fix1 ));\
 868 _mm_storeu_pd( fptr+2, _mm_add_pd( _mm_loadu_pd(fptr+2),   fiz1 ));\
 869 _mm_storeu_pd( fptr+4, _mm_add_pd( _mm_loadu_pd(fptr+4),   fiy2 ));\
 870 _mm_storeu_pd( fptr+6, _mm_add_pd( _mm_loadu_pd(fptr+6),   fix3 ));\
 871 _mm_storeu_pd( fptr+8, _mm_add_pd( _mm_loadu_pd(fptr+8),   fiz3 ));\
 872 _mm_storeu_pd( fptr+10, _mm_add_pd( _mm_loadu_pd(fptr+10), fiy4 ));\
 873 _t1 = _mm_shuffle_pd(fiz1,fiy2,_MM_SHUFFLE2(0,1));\
 874 fix1 = _mm_add_pd(fix1,_t1);\
 875 _t2 = _mm_shuffle_pd(fiz3,fiy4,_MM_SHUFFLE2(0,1));\
 876 fix3 = _mm_add_pd(fix3,_t2);\
 877 fix1 = _mm_add_pd(fix1,fix3);\
 878 fiz1 = _mm_add_sd(fiz1, _mm_unpackhi_pd(fiy2,fiy2));\
 879 fiz3 = _mm_add_sd(fiz3, _mm_unpackhi_pd(fiy4,fiy4));\
 880 fiz1 = _mm_add_sd(fiz1,fiz3);\
 881 _mm_storeu_pd( fshiftptr, _mm_add_pd( _mm_loadu_pd(fshiftptr), fix1 ));\
 882 _mm_store_sd( fshiftptr+2, _mm_add_sd( _mm_load_sd(fshiftptr+2), fiz1 ));\
 883 }
 884 #else
 885 /* Real function for sane compilers */
 886 static gmx_inline void
 887 gmx_mm_update_iforce_4atom_swizzle_pd(__m128d fix1, __m128d fiy1, __m128d fiz1,
 888                                       __m128d fix2, __m128d fiy2, __m128d fiz2,
 889                                       __m128d fix3, __m128d fiy3, __m128d fiz3,
 890                                       __m128d fix4, __m128d fiy4, __m128d fiz4,
 891                                       double * gmx_restrict fptr,
 892                                       double * gmx_restrict fshiftptr)
 893 {
 894     __m128d t1,t2;
 895
 896     fix1 = _mm_hadd_pd(fix1,fiy1);
 897     fiz1 = _mm_hadd_pd(fiz1,fix2);
 898     fiy2 = _mm_hadd_pd(fiy2,fiz2);
 899     fix3 = _mm_hadd_pd(fix3,fiy3);
 900     fiz3 = _mm_hadd_pd(fiz3,fix4);
 901     fiy4 = _mm_hadd_pd(fiy4,fiz4);
 902
 903     _mm_storeu_pd( fptr, _mm_add_pd( _mm_loadu_pd(fptr),       fix1 ));
 904     _mm_storeu_pd( fptr+2, _mm_add_pd( _mm_loadu_pd(fptr+2),   fiz1 ));
 905     _mm_storeu_pd( fptr+4, _mm_add_pd( _mm_loadu_pd(fptr+4),   fiy2 ));
 906     _mm_storeu_pd( fptr+6, _mm_add_pd( _mm_loadu_pd(fptr+6),   fix3 ));
 907     _mm_storeu_pd( fptr+8, _mm_add_pd( _mm_loadu_pd(fptr+8),   fiz3 ));
 908     _mm_storeu_pd( fptr+10, _mm_add_pd( _mm_loadu_pd(fptr+10), fiy4 ));
 909
 910     t1 = _mm_shuffle_pd(fiz1,fiy2,_MM_SHUFFLE2(0,1));
 911     fix1 = _mm_add_pd(fix1,t1);
 912     t2 = _mm_shuffle_pd(fiz3,fiy4,_MM_SHUFFLE2(0,1));
 913     fix3 = _mm_add_pd(fix3,t2);
 914     fix1 = _mm_add_pd(fix1,fix3); /* x and y sums */
 915
 916     fiz1 = _mm_add_sd(fiz1, _mm_unpackhi_pd(fiy2,fiy2));
 917     fiz3 = _mm_add_sd(fiz3, _mm_unpackhi_pd(fiy4,fiy4));
 918     fiz1 = _mm_add_sd(fiz1,fiz3); /* z sum */
 919
 920     _mm_storeu_pd( fshiftptr, _mm_add_pd( _mm_loadu_pd(fshiftptr), fix1 ));
 921     _mm_store_sd( fshiftptr+2, _mm_add_sd( _mm_load_sd(fshiftptr+2), fiz1 ));
 922 }
 923 #endif
 924
 925
 926 static gmx_inline void
 927 gmx_mm_update_1pot_pd(__m128d pot1, double * gmx_restrict ptrA)
 928 {
 929     pot1 = _mm_hadd_pd(pot1,pot1);
 930     _mm_store_sd(ptrA,_mm_add_sd(pot1,_mm_load_sd(ptrA)));
 931 }
 932
 933 static gmx_inline void
 934 gmx_mm_update_2pot_pd(__m128d pot1, double * gmx_restrict ptrA,
 935                       __m128d pot2, double * gmx_restrict ptrB)
 936 {
 937     pot1 = _mm_hadd_pd(pot1,pot2);
 938     pot2 = _mm_unpackhi_pd(pot1,pot1);
 939
 940     _mm_store_sd(ptrA,_mm_add_sd(pot1,_mm_load_sd(ptrA)));
 941     _mm_store_sd(ptrB,_mm_add_sd(pot2,_mm_load_sd(ptrB)));
 942 }
 943
 944
 945 #endif /* _kernelutil_x86_avx_128_fma_double_h_ */