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29 #ifndef _kernelutil_x86_avx_128_fma_double_h_
30 #define _kernelutil_x86_avx_128_fma_double_h_
32 #include "gmx_x86_avx_128_fma.h"
36 gmx_mm_any_lt(__m128d a, __m128d b)
38 return _mm_movemask_pd(_mm_cmplt_pd(a,b));
42 static gmx_inline __m128d
43 gmx_mm_calc_rsq_pd(__m128d dx, __m128d dy, __m128d dz)
45 return _mm_macc_pd(dx,dx,_mm_macc_pd(dy,dy,_mm_mul_pd(dz,dz)));
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))
53 /* Load a double value from 1-2 places, merge into xmm register */
57 gmx_mm_load_2real_swizzle_pd(const double * gmx_restrict ptrA,
58 const double * gmx_restrict ptrB)
60 return _mm_unpacklo_pd(_mm_load_sd(ptrA),_mm_load_sd(ptrB));
64 gmx_mm_load_1real_pd(const double * gmx_restrict ptrA)
66 return _mm_load_sd(ptrA);
71 gmx_mm_store_2real_swizzle_pd(double * gmx_restrict ptrA,
72 double * gmx_restrict ptrB,
77 t2 = _mm_unpackhi_pd(xmm1,xmm1);
78 _mm_store_sd(ptrA,xmm1);
79 _mm_store_sd(ptrB,t2);
83 gmx_mm_store_1real_pd(double * gmx_restrict ptrA, __m128d xmm1)
85 _mm_store_sd(ptrA,xmm1);
89 /* Similar to store, but increments value in memory */
91 gmx_mm_increment_2real_swizzle_pd(double * gmx_restrict ptrA,
92 double * gmx_restrict ptrB, __m128d xmm1)
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);
104 gmx_mm_increment_1real_pd(double * gmx_restrict ptrA, __m128d xmm1)
108 tmp = gmx_mm_load_1real_pd(ptrA);
109 tmp = _mm_add_sd(tmp,xmm1);
110 gmx_mm_store_1real_pd(ptrA,tmp);
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)
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);
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)
135 *c6 = _mm_load_sd(p1);
136 *c12 = _mm_load_sd(p1+1);
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)
147 __m128d mem_xy,mem_z,mem_sxy,mem_sz;
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);
154 mem_xy = _mm_add_pd(mem_xy,mem_sxy);
155 mem_z = _mm_add_pd(mem_z,mem_sz);
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));
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)
170 __m128d t1,t2,t3,t4,t5,sxy,sz,szx,syz;
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);
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));
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);
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));
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)
209 __m128d t1,t2,t3,t4,t5,t6,sxy,sz,szx,syz;
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);
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));
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);
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));
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)
250 *x = _mm_load_sd(p1);
251 *y = _mm_load_sd(p1+1);
252 *z = _mm_load_sd(p1+2);
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)
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);
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)
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);
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)
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);
307 *z1 = _mm_unpacklo_pd(t3,t4);
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)
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);
339 *z3 = _mm_unpacklo_pd(t9,t10);
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)
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);
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);
384 /* Routines to decrement rvec in memory, typically use for j particle force updates */
386 gmx_mm_decrement_1rvec_1ptr_swizzle_pd(double * gmx_restrict ptrA,
387 __m128d x1, __m128d y1, __m128d z1)
391 t1 = _mm_load_sd(ptrA);
392 t2 = _mm_load_sd(ptrA+1);
393 t3 = _mm_load_sd(ptrA+2);
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);
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) \
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);\
430 /* Real function for sane compilers */
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)
437 __m128d t1,t2,t3,t4,t5;
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);
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 */
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);
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) \
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 ));\
490 /* Real function for sane compilers */
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)
498 __m128d t1,t2,t3,t4,t5,t6;
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);
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);
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 ));
525 gmx_mm_decrement_1rvec_2ptr_swizzle_pd(double * gmx_restrict ptrA, double * gmx_restrict ptrB,
526 __m128d x1, __m128d y1, __m128d z1)
528 __m128d t1,t2,t3,t4,t5,t6,t7;
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);
535 t5 = _mm_unpacklo_pd(x1,y1);
536 t6 = _mm_unpackhi_pd(x1,y1);
537 t7 = _mm_unpackhi_pd(z1,z1);
539 t1 = _mm_sub_pd(t1,t5);
540 t2 = _mm_sub_sd(t2,z1);
542 t3 = _mm_sub_pd(t3,t6);
543 t4 = _mm_sub_sd(t4,t7);
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);
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) \
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);\
599 /* Real function for sane compilers */
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)
606 __m128d t1,t2,t3,t4,t5,t6,t7,t8,t9,t10;
607 __m128d tA,tB,tC,tD,tE,tF,tG,tH,tI;
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);
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);
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);
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);
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);
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) \
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);\
712 /* Real function for sane compilers */
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)
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;
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);
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);
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);
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);
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);
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)
784 fix1 = _mm_hadd_pd(fix1,fiy1);
785 fiz1 = _mm_hadd_pd(fiz1,fiz1);
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 ));
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 ));
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, \
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 ));\
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)
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);
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 ));
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 */
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 */
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 ));
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, \
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 ));\
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)
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);
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 ));
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 */
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 */
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 ));
926 static gmx_inline void
927 gmx_mm_update_1pot_pd(__m128d pot1, double * gmx_restrict ptrA)
929 pot1 = _mm_hadd_pd(pot1,pot1);
930 _mm_store_sd(ptrA,_mm_add_sd(pot1,_mm_load_sd(ptrA)));
933 static gmx_inline void
934 gmx_mm_update_2pot_pd(__m128d pot1, double * gmx_restrict ptrA,
935 __m128d pot2, double * gmx_restrict ptrB)
937 pot1 = _mm_hadd_pd(pot1,pot2);
938 pot2 = _mm_unpackhi_pd(pot1,pot1);
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)));
945 #endif /* _kernelutil_x86_avx_128_fma_double_h_ */