2 * This source code is part of
6 * Copyright (c) 2011-2012, The GROMACS Development Team
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
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
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.
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.
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!
29 #ifndef _kernelutil_x86_sse2_single_h_
30 #define _kernelutil_x86_sse2_single_h_
32 /* We require SSE2 now! */
36 #include "gmx_x86_sse2.h"
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))
42 static gmx_inline __m128
43 gmx_mm_calc_rsq_ps(__m128 dx, __m128 dy, __m128 dz)
45 return _mm_add_ps( _mm_add_ps( _mm_mul_ps(dx,dx), _mm_mul_ps(dy,dy) ), _mm_mul_ps(dz,dz) );
49 gmx_mm_any_lt(__m128 a, __m128 b)
51 return _mm_movemask_ps(_mm_cmplt_ps(a,b));
54 /* Load a single value from 1-4 places, merge into xmm register */
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)
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);
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,
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);
87 /* Similar to store, but increments value in memory */
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)
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);
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)
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);
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.
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)
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);
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));
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)
159 __m128 t1,t2,t3,t4,t5,t6;
161 tA = _mm_loadl_pi(_mm_setzero_ps(),(__m64 *)xyz_shift);
162 tB = _mm_load_ss(xyz_shift+2);
164 t1 = _mm_loadu_ps(xyz);
165 t2 = _mm_loadu_ps(xyz+4);
166 t3 = _mm_load_ss(xyz+8);
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));
173 t1 = _mm_add_ps(t1,t4);
174 t2 = _mm_add_ps(t2,t5);
175 t3 = _mm_add_ss(t3,t6);
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));
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)
198 __m128 t1,t2,t3,t4,t5,t6;
200 tA = _mm_castpd_ps(_mm_load_sd((const double *)xyz_shift));
201 tB = _mm_load_ss(xyz_shift+2);
203 t1 = _mm_loadu_ps(xyz);
204 t2 = _mm_loadu_ps(xyz+4);
205 t3 = _mm_loadu_ps(xyz+8);
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));
212 t1 = _mm_add_ps(t1,t4);
213 t2 = _mm_add_ps(t2,t5);
214 t3 = _mm_add_ps(t3,t6);
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));
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)
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);
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)
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);
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);
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);
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)
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);
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);
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);
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)
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);
377 gmx_mm_decrement_3rvec_4ptr_swizzle_ps(float * gmx_restrict ptrA, float * gmx_restrict ptrB,
378 float * gmx_restrict ptrC, float * gmx_restrict ptrD,
379 __m128 x1, __m128 y1, __m128 z1,
380 __m128 x2, __m128 y2, __m128 z2,
381 __m128 x3, __m128 y3, __m128 z3)
383 __m128 t1,t2,t3,t4,t5,t6,t7,t8,t9,t10;
384 __m128 t11,t12,t13,t14,t15,t16,t17,t18,t19;
385 __m128 t20,t21,t22,t23,t24,t25;
387 t13 = _mm_unpackhi_ps(x1,y1);
388 x1 = _mm_unpacklo_ps(x1,y1);
389 t14 = _mm_unpackhi_ps(z1,x2);
390 z1 = _mm_unpacklo_ps(z1,x2);
391 t15 = _mm_unpackhi_ps(y2,z2);
392 y2 = _mm_unpacklo_ps(y2,z2);
393 t16 = _mm_unpackhi_ps(x3,y3);
394 x3 = _mm_unpacklo_ps(x3,y3);
395 t17 = _mm_shuffle_ps(z3,z3,_MM_SHUFFLE(0,0,0,1));
396 t18 = _mm_movehl_ps(z3,z3);
397 t19 = _mm_shuffle_ps(t18,t18,_MM_SHUFFLE(0,0,0,1));
398 t20 = _mm_movelh_ps(x1,z1);
399 t21 = _mm_movehl_ps(z1,x1);
400 t22 = _mm_movelh_ps(t13,t14);
401 t14 = _mm_movehl_ps(t14,t13);
402 t23 = _mm_movelh_ps(y2,x3);
403 t24 = _mm_movehl_ps(x3,y2);
404 t25 = _mm_movelh_ps(t15,t16);
405 t16 = _mm_movehl_ps(t16,t15);
406 t1 = _mm_loadu_ps(ptrA);
407 t2 = _mm_loadu_ps(ptrA+4);
408 t3 = _mm_load_ss(ptrA+8);
409 t1 = _mm_sub_ps(t1,t20);
410 t2 = _mm_sub_ps(t2,t23);
411 t3 = _mm_sub_ss(t3,z3);
412 _mm_storeu_ps(ptrA,t1);
413 _mm_storeu_ps(ptrA+4,t2);
414 _mm_store_ss(ptrA+8,t3);
415 t4 = _mm_loadu_ps(ptrB);
416 t5 = _mm_loadu_ps(ptrB+4);
417 t6 = _mm_load_ss(ptrB+8);
418 t4 = _mm_sub_ps(t4,t21);
419 t5 = _mm_sub_ps(t5,t24);
420 t6 = _mm_sub_ss(t6,t17);
421 _mm_storeu_ps(ptrB,t4);
422 _mm_storeu_ps(ptrB+4,t5);
423 _mm_store_ss(ptrB+8,t6);
424 t7 = _mm_loadu_ps(ptrC);
425 t8 = _mm_loadu_ps(ptrC+4);
426 t9 = _mm_load_ss(ptrC+8);
427 t7 = _mm_sub_ps(t7,t22);
428 t8 = _mm_sub_ps(t8,t25);
429 t9 = _mm_sub_ss(t9,t18);
430 _mm_storeu_ps(ptrC,t7);
431 _mm_storeu_ps(ptrC+4,t8);
432 _mm_store_ss(ptrC+8,t9);
433 t10 = _mm_loadu_ps(ptrD);
434 t11 = _mm_loadu_ps(ptrD+4);
435 t12 = _mm_load_ss(ptrD+8);
436 t10 = _mm_sub_ps(t10,t14);
437 t11 = _mm_sub_ps(t11,t16);
438 t12 = _mm_sub_ss(t12,t19);
439 _mm_storeu_ps(ptrD,t10);
440 _mm_storeu_ps(ptrD+4,t11);
441 _mm_store_ss(ptrD+8,t12);
446 gmx_mm_decrement_4rvec_4ptr_swizzle_ps(float * gmx_restrict ptrA, float * gmx_restrict ptrB,
447 float * gmx_restrict ptrC, float * gmx_restrict ptrD,
448 __m128 x1, __m128 y1, __m128 z1,
449 __m128 x2, __m128 y2, __m128 z2,
450 __m128 x3, __m128 y3, __m128 z3,
451 __m128 x4, __m128 y4, __m128 z4)
453 __m128 t1,t2,t3,t4,t5,t6,t7,t8,t9,t10,t11;
454 __m128 t12,t13,t14,t15,t16,t17,t18,t19,t20,t21,t22;
456 t13 = _mm_unpackhi_ps(x1,y1);
457 x1 = _mm_unpacklo_ps(x1,y1);
458 t14 = _mm_unpackhi_ps(z1,x2);
459 z1 = _mm_unpacklo_ps(z1,x2);
460 t15 = _mm_unpackhi_ps(y2,z2);
461 y2 = _mm_unpacklo_ps(y2,z2);
462 t16 = _mm_unpackhi_ps(x3,y3);
463 x3 = _mm_unpacklo_ps(x3,y3);
464 t17 = _mm_unpackhi_ps(z3,x4);
465 z3 = _mm_unpacklo_ps(z3,x4);
466 t18 = _mm_unpackhi_ps(y4,z4);
467 y4 = _mm_unpacklo_ps(y4,z4);
468 t19 = _mm_movelh_ps(x1,z1);
469 z1 = _mm_movehl_ps(z1,x1);
470 t20 = _mm_movelh_ps(t13,t14);
471 t14 = _mm_movehl_ps(t14,t13);
472 t21 = _mm_movelh_ps(y2,x3);
473 x3 = _mm_movehl_ps(x3,y2);
474 t22 = _mm_movelh_ps(t15,t16);
475 t16 = _mm_movehl_ps(t16,t15);
476 t23 = _mm_movelh_ps(z3,y4);
477 y4 = _mm_movehl_ps(y4,z3);
478 t24 = _mm_movelh_ps(t17,t18);
479 t18 = _mm_movehl_ps(t18,t17);
480 t1 = _mm_loadu_ps(ptrA);
481 t2 = _mm_loadu_ps(ptrA+4);
482 t3 = _mm_loadu_ps(ptrA+8);
483 t1 = _mm_sub_ps(t1,t19);
484 t2 = _mm_sub_ps(t2,t21);
485 t3 = _mm_sub_ps(t3,t23);
486 _mm_storeu_ps(ptrA,t1);
487 _mm_storeu_ps(ptrA+4,t2);
488 _mm_storeu_ps(ptrA+8,t3);
489 t4 = _mm_loadu_ps(ptrB);
490 t5 = _mm_loadu_ps(ptrB+4);
491 t6 = _mm_loadu_ps(ptrB+8);
492 t4 = _mm_sub_ps(t4,z1);
493 t5 = _mm_sub_ps(t5,x3);
494 t6 = _mm_sub_ps(t6,y4);
495 _mm_storeu_ps(ptrB,t4);
496 _mm_storeu_ps(ptrB+4,t5);
497 _mm_storeu_ps(ptrB+8,t6);
498 t7 = _mm_loadu_ps(ptrC);
499 t8 = _mm_loadu_ps(ptrC+4);
500 t9 = _mm_loadu_ps(ptrC+8);
501 t7 = _mm_sub_ps(t7,t20);
502 t8 = _mm_sub_ps(t8,t22);
503 t9 = _mm_sub_ps(t9,t24);
504 _mm_storeu_ps(ptrC,t7);
505 _mm_storeu_ps(ptrC+4,t8);
506 _mm_storeu_ps(ptrC+8,t9);
507 t10 = _mm_loadu_ps(ptrD);
508 t11 = _mm_loadu_ps(ptrD+4);
509 t12 = _mm_loadu_ps(ptrD+8);
510 t10 = _mm_sub_ps(t10,t14);
511 t11 = _mm_sub_ps(t11,t16);
512 t12 = _mm_sub_ps(t12,t18);
513 _mm_storeu_ps(ptrD,t10);
514 _mm_storeu_ps(ptrD+4,t11);
515 _mm_storeu_ps(ptrD+8,t12);
520 static gmx_inline void
521 gmx_mm_update_iforce_1atom_swizzle_ps(__m128 fix1, __m128 fiy1, __m128 fiz1,
522 float * gmx_restrict fptr,
523 float * gmx_restrict fshiftptr)
529 _MM_TRANSPOSE4_PS(fix1,t1,fiy1,fiz1);
530 fix1 = _mm_add_ps(_mm_add_ps(fix1,t1), _mm_add_ps(fiy1,fiz1));
532 t2 = _mm_load_ss(fptr);
533 t2 = _mm_loadh_pi(t2,(__m64 *)(fptr+1));
534 t3 = _mm_load_ss(fshiftptr);
535 t3 = _mm_loadh_pi(t3,(__m64 *)(fshiftptr+1));
537 t2 = _mm_add_ps(t2,fix1);
538 t3 = _mm_add_ps(t3,fix1);
540 _mm_store_ss(fptr,t2);
541 _mm_storeh_pi((__m64 *)(fptr+1),t2);
542 _mm_store_ss(fshiftptr,t3);
543 _mm_storeh_pi((__m64 *)(fshiftptr+1),t3);
546 static gmx_inline void
547 gmx_mm_update_iforce_3atom_swizzle_ps(__m128 fix1, __m128 fiy1, __m128 fiz1,
548 __m128 fix2, __m128 fiy2, __m128 fiz2,
549 __m128 fix3, __m128 fiy3, __m128 fiz3,
550 float * gmx_restrict fptr,
551 float * gmx_restrict fshiftptr)
556 _MM_TRANSPOSE4_PS(fix1,fiy1,fiz1,fix2);
557 _MM_TRANSPOSE4_PS(fiy2,fiz2,fix3,fiy3);
558 t2 = _mm_movehl_ps(_mm_setzero_ps(),fiz3);
559 t1 = _mm_shuffle_ps(fiz3,fiz3,_MM_SHUFFLE(0,0,0,1));
560 t3 = _mm_shuffle_ps(t2,t2,_MM_SHUFFLE(0,0,0,1));
562 fix1 = _mm_add_ps(_mm_add_ps(fix1,fiy1), _mm_add_ps(fiz1,fix2));
563 fiy2 = _mm_add_ps(_mm_add_ps(fiy2,fiz2), _mm_add_ps(fix3,fiy3));
564 fiz3 = _mm_add_ss(_mm_add_ps(fiz3,t1) , _mm_add_ps(t2,t3));
566 _mm_storeu_ps(fptr, _mm_add_ps(fix1,_mm_loadu_ps(fptr) ));
567 _mm_storeu_ps(fptr+4,_mm_add_ps(fiy2,_mm_loadu_ps(fptr+4)));
568 _mm_store_ss (fptr+8,_mm_add_ss(fiz3,_mm_load_ss(fptr+8) ));
570 t4 = _mm_load_ss(fshiftptr+2);
571 t4 = _mm_loadh_pi(t4,(__m64 *)(fshiftptr));
573 t1 = _mm_shuffle_ps(fiz3,fix1,_MM_SHUFFLE(1,0,0,0)); /* fiy1 fix1 - fiz3 */
574 t2 = _mm_shuffle_ps(fix1,fiy2,_MM_SHUFFLE(3,2,2,2)); /* fiy3 fix3 - fiz1 */
575 t3 = _mm_shuffle_ps(fiy2,fix1,_MM_SHUFFLE(3,3,0,1)); /* fix2 fix2 fiy2 fiz2 */
576 t3 = _mm_shuffle_ps(t3 ,t3 ,_MM_SHUFFLE(1,2,0,0)); /* fiy2 fix2 - fiz2 */
578 t1 = _mm_add_ps(t1,t2);
579 t3 = _mm_add_ps(t3,t4);
580 t1 = _mm_add_ps(t1,t3); /* y x - z */
582 _mm_store_ss(fshiftptr+2,t1);
583 _mm_storeh_pi((__m64 *)(fshiftptr),t1);
587 static gmx_inline void
588 gmx_mm_update_iforce_4atom_swizzle_ps(__m128 fix1, __m128 fiy1, __m128 fiz1,
589 __m128 fix2, __m128 fiy2, __m128 fiz2,
590 __m128 fix3, __m128 fiy3, __m128 fiz3,
591 __m128 fix4, __m128 fiy4, __m128 fiz4,
592 float * gmx_restrict fptr,
593 float * gmx_restrict fshiftptr)
595 __m128 t1,t2,t3,t4,t5;
598 _MM_TRANSPOSE4_PS(fix1,fiy1,fiz1,fix2);
599 _MM_TRANSPOSE4_PS(fiy2,fiz2,fix3,fiy3);
600 _MM_TRANSPOSE4_PS(fiz3,fix4,fiy4,fiz4);
602 fix1 = _mm_add_ps(_mm_add_ps(fix1,fiy1), _mm_add_ps(fiz1,fix2));
603 fiy2 = _mm_add_ps(_mm_add_ps(fiy2,fiz2), _mm_add_ps(fix3,fiy3));
604 fiz3 = _mm_add_ps(_mm_add_ps(fiz3,fix4), _mm_add_ps(fiy4,fiz4));
606 _mm_storeu_ps(fptr, _mm_add_ps(fix1,_mm_loadu_ps(fptr) ));
607 _mm_storeu_ps(fptr+4,_mm_add_ps(fiy2,_mm_loadu_ps(fptr+4)));
608 _mm_storeu_ps(fptr+8,_mm_add_ps(fiz3,_mm_loadu_ps(fptr+8)));
610 t5 = _mm_load_ss(fshiftptr+2);
611 t5 = _mm_loadh_pi(t5,(__m64 *)(fshiftptr));
613 t1 = _mm_shuffle_ps(fix1,fix1,_MM_SHUFFLE(1,0,2,2));
614 t2 = _mm_shuffle_ps(fiy2,fiy2,_MM_SHUFFLE(3,2,1,1));
615 t3 = _mm_shuffle_ps(fiz3,fiz3,_MM_SHUFFLE(2,1,0,0));
616 t4 = _mm_shuffle_ps(fix1,fiy2,_MM_SHUFFLE(0,0,3,3));
617 t4 = _mm_shuffle_ps(fiz3,t4 ,_MM_SHUFFLE(2,0,3,3));
619 t1 = _mm_add_ps(t1,t2);
620 t3 = _mm_add_ps(t3,t4);
621 t1 = _mm_add_ps(t1,t3);
622 t5 = _mm_add_ps(t5,t1);
624 _mm_store_ss(fshiftptr+2,t5);
625 _mm_storeh_pi((__m64 *)(fshiftptr),t5);
631 gmx_mm_update_1pot_ps(__m128 pot1, float * gmx_restrict ptrA)
633 pot1 = _mm_add_ps(pot1,_mm_movehl_ps(_mm_setzero_ps(),pot1));
634 pot1 = _mm_add_ps(pot1,_mm_shuffle_ps(pot1,pot1,_MM_SHUFFLE(0,0,0,1)));
635 _mm_store_ss(ptrA,_mm_add_ss(pot1,_mm_load_ss(ptrA)));
639 gmx_mm_update_2pot_ps(__m128 pot1, float * gmx_restrict ptrA,
640 __m128 pot2, float * gmx_restrict ptrB)
643 t1 = _mm_movehl_ps(pot2,pot1);
644 t2 = _mm_movelh_ps(pot1,pot2);
645 t1 = _mm_add_ps(t1,t2);
646 t2 = _mm_shuffle_ps(t1,t1,_MM_SHUFFLE(3,3,1,1));
647 pot1 = _mm_add_ps(t1,t2);
648 pot2 = _mm_movehl_ps(t2,pot1);
649 _mm_store_ss(ptrA,_mm_add_ss(pot1,_mm_load_ss(ptrA)));
650 _mm_store_ss(ptrB,_mm_add_ss(pot2,_mm_load_ss(ptrB)));
655 gmx_mm_update_4pot_ps(__m128 pot1, float * gmx_restrict ptrA,
656 __m128 pot2, float * gmx_restrict ptrB,
657 __m128 pot3, float * gmx_restrict ptrC,
658 __m128 pot4, float * gmx_restrict ptrD)
660 _MM_TRANSPOSE4_PS(pot1,pot2,pot3,pot4);
661 pot1 = _mm_add_ps(_mm_add_ps(pot1,pot2),_mm_add_ps(pot3,pot4));
662 pot2 = _mm_shuffle_ps(pot1,pot1,_MM_SHUFFLE(1,1,1,1));
663 pot3 = _mm_shuffle_ps(pot1,pot1,_MM_SHUFFLE(2,2,2,2));
664 pot4 = _mm_shuffle_ps(pot1,pot1,_MM_SHUFFLE(3,3,3,3));
665 _mm_store_ss(ptrA,_mm_add_ss(pot1,_mm_load_ss(ptrA)));
666 _mm_store_ss(ptrB,_mm_add_ss(pot2,_mm_load_ss(ptrB)));
667 _mm_store_ss(ptrC,_mm_add_ss(pot3,_mm_load_ss(ptrC)));
668 _mm_store_ss(ptrD,_mm_add_ss(pot4,_mm_load_ss(ptrD)));
672 #endif /* _kernelutil_x86_sse2_single_h_ */