2 * Note: this file was generated by the Gromacs avx_128_fma_single kernel generator.
4 * This source code is part of
8 * Copyright (c) 2001-2012, The GROMACS Development Team
10 * Gromacs is a library for molecular simulation and trajectory analysis,
11 * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
12 * a full list of developers and information, check out http://www.gromacs.org
14 * This program is free software; you can redistribute it and/or modify it under
15 * the terms of the GNU Lesser General Public License as published by the Free
16 * Software Foundation; either version 2 of the License, or (at your option) any
19 * To help fund GROMACS development, we humbly ask that you cite
20 * the papers people have written on it - you can find them on the website.
28 #include "../nb_kernel.h"
29 #include "types/simple.h"
33 #include "gmx_math_x86_avx_128_fma_single.h"
34 #include "kernelutil_x86_avx_128_fma_single.h"
37 * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomP1P1_VF_avx_128_fma_single
38 * Electrostatics interaction: Ewald
39 * VdW interaction: None
40 * Geometry: Particle-Particle
41 * Calculate force/pot: PotentialAndForce
44 nb_kernel_ElecEw_VdwNone_GeomP1P1_VF_avx_128_fma_single
45 (t_nblist * gmx_restrict nlist,
46 rvec * gmx_restrict xx,
47 rvec * gmx_restrict ff,
48 t_forcerec * gmx_restrict fr,
49 t_mdatoms * gmx_restrict mdatoms,
50 nb_kernel_data_t * gmx_restrict kernel_data,
51 t_nrnb * gmx_restrict nrnb)
53 /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or
54 * just 0 for non-waters.
55 * Suffixes A,B,C,D refer to j loop unrolling done with AVX_128, e.g. for the four different
56 * jnr indices corresponding to data put in the four positions in the SIMD register.
58 int i_shift_offset,i_coord_offset,outeriter,inneriter;
59 int j_index_start,j_index_end,jidx,nri,inr,ggid,iidx;
60 int jnrA,jnrB,jnrC,jnrD;
61 int jnrlistA,jnrlistB,jnrlistC,jnrlistD;
62 int j_coord_offsetA,j_coord_offsetB,j_coord_offsetC,j_coord_offsetD;
63 int *iinr,*jindex,*jjnr,*shiftidx,*gid;
65 real *shiftvec,*fshift,*x,*f;
66 real *fjptrA,*fjptrB,*fjptrC,*fjptrD;
68 __m128 fscal,rcutoff,rcutoff2,jidxall;
70 __m128 ix0,iy0,iz0,fix0,fiy0,fiz0,iq0,isai0;
71 int vdwjidx0A,vdwjidx0B,vdwjidx0C,vdwjidx0D;
72 __m128 jx0,jy0,jz0,fjx0,fjy0,fjz0,jq0,isaj0;
73 __m128 dx00,dy00,dz00,rsq00,rinv00,rinvsq00,r00,qq00,c6_00,c12_00;
74 __m128 velec,felec,velecsum,facel,crf,krf,krf2;
77 __m128 ewtabscale,eweps,twoeweps,sh_ewald,ewrt,ewtabhalfspace,ewtabF,ewtabFn,ewtabD,ewtabV;
78 __m128 beta,beta2,beta3,zeta2,pmecorrF,pmecorrV,rinv3;
80 __m128 dummy_mask,cutoff_mask;
81 __m128 signbit = _mm_castsi128_ps( _mm_set1_epi32(0x80000000) );
82 __m128 one = _mm_set1_ps(1.0);
83 __m128 two = _mm_set1_ps(2.0);
89 jindex = nlist->jindex;
91 shiftidx = nlist->shift;
93 shiftvec = fr->shift_vec[0];
94 fshift = fr->fshift[0];
95 facel = _mm_set1_ps(fr->epsfac);
96 charge = mdatoms->chargeA;
98 sh_ewald = _mm_set1_ps(fr->ic->sh_ewald);
99 beta = _mm_set1_ps(fr->ic->ewaldcoeff);
100 beta2 = _mm_mul_ps(beta,beta);
101 beta3 = _mm_mul_ps(beta,beta2);
102 ewtab = fr->ic->tabq_coul_FDV0;
103 ewtabscale = _mm_set1_ps(fr->ic->tabq_scale);
104 ewtabhalfspace = _mm_set1_ps(0.5/fr->ic->tabq_scale);
106 /* Avoid stupid compiler warnings */
107 jnrA = jnrB = jnrC = jnrD = 0;
116 for(iidx=0;iidx<4*DIM;iidx++)
121 /* Start outer loop over neighborlists */
122 for(iidx=0; iidx<nri; iidx++)
124 /* Load shift vector for this list */
125 i_shift_offset = DIM*shiftidx[iidx];
127 /* Load limits for loop over neighbors */
128 j_index_start = jindex[iidx];
129 j_index_end = jindex[iidx+1];
131 /* Get outer coordinate index */
133 i_coord_offset = DIM*inr;
135 /* Load i particle coords and add shift vector */
136 gmx_mm_load_shift_and_1rvec_broadcast_ps(shiftvec+i_shift_offset,x+i_coord_offset,&ix0,&iy0,&iz0);
138 fix0 = _mm_setzero_ps();
139 fiy0 = _mm_setzero_ps();
140 fiz0 = _mm_setzero_ps();
142 /* Load parameters for i particles */
143 iq0 = _mm_mul_ps(facel,_mm_load1_ps(charge+inr+0));
145 /* Reset potential sums */
146 velecsum = _mm_setzero_ps();
148 /* Start inner kernel loop */
149 for(jidx=j_index_start; jidx<j_index_end && jjnr[jidx+3]>=0; jidx+=4)
152 /* Get j neighbor index, and coordinate index */
157 j_coord_offsetA = DIM*jnrA;
158 j_coord_offsetB = DIM*jnrB;
159 j_coord_offsetC = DIM*jnrC;
160 j_coord_offsetD = DIM*jnrD;
162 /* load j atom coordinates */
163 gmx_mm_load_1rvec_4ptr_swizzle_ps(x+j_coord_offsetA,x+j_coord_offsetB,
164 x+j_coord_offsetC,x+j_coord_offsetD,
167 /* Calculate displacement vector */
168 dx00 = _mm_sub_ps(ix0,jx0);
169 dy00 = _mm_sub_ps(iy0,jy0);
170 dz00 = _mm_sub_ps(iz0,jz0);
172 /* Calculate squared distance and things based on it */
173 rsq00 = gmx_mm_calc_rsq_ps(dx00,dy00,dz00);
175 rinv00 = gmx_mm_invsqrt_ps(rsq00);
177 rinvsq00 = _mm_mul_ps(rinv00,rinv00);
179 /* Load parameters for j particles */
180 jq0 = gmx_mm_load_4real_swizzle_ps(charge+jnrA+0,charge+jnrB+0,
181 charge+jnrC+0,charge+jnrD+0);
183 /**************************
184 * CALCULATE INTERACTIONS *
185 **************************/
187 r00 = _mm_mul_ps(rsq00,rinv00);
189 /* Compute parameters for interactions between i and j atoms */
190 qq00 = _mm_mul_ps(iq0,jq0);
192 /* EWALD ELECTROSTATICS */
194 /* Analytical PME correction */
195 zeta2 = _mm_mul_ps(beta2,rsq00);
196 rinv3 = _mm_mul_ps(rinvsq00,rinv00);
197 pmecorrF = gmx_mm_pmecorrF_ps(zeta2);
198 felec = _mm_macc_ps(pmecorrF,beta3,rinv3);
199 felec = _mm_mul_ps(qq00,felec);
200 pmecorrV = gmx_mm_pmecorrV_ps(zeta2);
201 velec = _mm_nmacc_ps(pmecorrV,beta,rinv00);
202 velec = _mm_mul_ps(qq00,velec);
204 /* Update potential sum for this i atom from the interaction with this j atom. */
205 velecsum = _mm_add_ps(velecsum,velec);
209 /* Update vectorial force */
210 fix0 = _mm_macc_ps(dx00,fscal,fix0);
211 fiy0 = _mm_macc_ps(dy00,fscal,fiy0);
212 fiz0 = _mm_macc_ps(dz00,fscal,fiz0);
214 fjptrA = f+j_coord_offsetA;
215 fjptrB = f+j_coord_offsetB;
216 fjptrC = f+j_coord_offsetC;
217 fjptrD = f+j_coord_offsetD;
218 gmx_mm_decrement_1rvec_4ptr_swizzle_ps(fjptrA,fjptrB,fjptrC,fjptrD,
219 _mm_mul_ps(dx00,fscal),
220 _mm_mul_ps(dy00,fscal),
221 _mm_mul_ps(dz00,fscal));
223 /* Inner loop uses 29 flops */
229 /* Get j neighbor index, and coordinate index */
230 jnrlistA = jjnr[jidx];
231 jnrlistB = jjnr[jidx+1];
232 jnrlistC = jjnr[jidx+2];
233 jnrlistD = jjnr[jidx+3];
234 /* Sign of each element will be negative for non-real atoms.
235 * This mask will be 0xFFFFFFFF for dummy entries and 0x0 for real ones,
236 * so use it as val = _mm_andnot_ps(mask,val) to clear dummy entries.
238 dummy_mask = gmx_mm_castsi128_ps(_mm_cmplt_epi32(_mm_loadu_si128((const __m128i *)(jjnr+jidx)),_mm_setzero_si128()));
239 jnrA = (jnrlistA>=0) ? jnrlistA : 0;
240 jnrB = (jnrlistB>=0) ? jnrlistB : 0;
241 jnrC = (jnrlistC>=0) ? jnrlistC : 0;
242 jnrD = (jnrlistD>=0) ? jnrlistD : 0;
243 j_coord_offsetA = DIM*jnrA;
244 j_coord_offsetB = DIM*jnrB;
245 j_coord_offsetC = DIM*jnrC;
246 j_coord_offsetD = DIM*jnrD;
248 /* load j atom coordinates */
249 gmx_mm_load_1rvec_4ptr_swizzle_ps(x+j_coord_offsetA,x+j_coord_offsetB,
250 x+j_coord_offsetC,x+j_coord_offsetD,
253 /* Calculate displacement vector */
254 dx00 = _mm_sub_ps(ix0,jx0);
255 dy00 = _mm_sub_ps(iy0,jy0);
256 dz00 = _mm_sub_ps(iz0,jz0);
258 /* Calculate squared distance and things based on it */
259 rsq00 = gmx_mm_calc_rsq_ps(dx00,dy00,dz00);
261 rinv00 = gmx_mm_invsqrt_ps(rsq00);
263 rinvsq00 = _mm_mul_ps(rinv00,rinv00);
265 /* Load parameters for j particles */
266 jq0 = gmx_mm_load_4real_swizzle_ps(charge+jnrA+0,charge+jnrB+0,
267 charge+jnrC+0,charge+jnrD+0);
269 /**************************
270 * CALCULATE INTERACTIONS *
271 **************************/
273 r00 = _mm_mul_ps(rsq00,rinv00);
274 r00 = _mm_andnot_ps(dummy_mask,r00);
276 /* Compute parameters for interactions between i and j atoms */
277 qq00 = _mm_mul_ps(iq0,jq0);
279 /* EWALD ELECTROSTATICS */
281 /* Analytical PME correction */
282 zeta2 = _mm_mul_ps(beta2,rsq00);
283 rinv3 = _mm_mul_ps(rinvsq00,rinv00);
284 pmecorrF = gmx_mm_pmecorrF_ps(zeta2);
285 felec = _mm_macc_ps(pmecorrF,beta3,rinv3);
286 felec = _mm_mul_ps(qq00,felec);
287 pmecorrV = gmx_mm_pmecorrV_ps(zeta2);
288 velec = _mm_nmacc_ps(pmecorrV,beta,rinv00);
289 velec = _mm_mul_ps(qq00,velec);
291 /* Update potential sum for this i atom from the interaction with this j atom. */
292 velec = _mm_andnot_ps(dummy_mask,velec);
293 velecsum = _mm_add_ps(velecsum,velec);
297 fscal = _mm_andnot_ps(dummy_mask,fscal);
299 /* Update vectorial force */
300 fix0 = _mm_macc_ps(dx00,fscal,fix0);
301 fiy0 = _mm_macc_ps(dy00,fscal,fiy0);
302 fiz0 = _mm_macc_ps(dz00,fscal,fiz0);
304 fjptrA = (jnrlistA>=0) ? f+j_coord_offsetA : scratch;
305 fjptrB = (jnrlistB>=0) ? f+j_coord_offsetB : scratch;
306 fjptrC = (jnrlistC>=0) ? f+j_coord_offsetC : scratch;
307 fjptrD = (jnrlistD>=0) ? f+j_coord_offsetD : scratch;
308 gmx_mm_decrement_1rvec_4ptr_swizzle_ps(fjptrA,fjptrB,fjptrC,fjptrD,
309 _mm_mul_ps(dx00,fscal),
310 _mm_mul_ps(dy00,fscal),
311 _mm_mul_ps(dz00,fscal));
313 /* Inner loop uses 30 flops */
316 /* End of innermost loop */
318 gmx_mm_update_iforce_1atom_swizzle_ps(fix0,fiy0,fiz0,
319 f+i_coord_offset,fshift+i_shift_offset);
322 /* Update potential energies */
323 gmx_mm_update_1pot_ps(velecsum,kernel_data->energygrp_elec+ggid);
325 /* Increment number of inner iterations */
326 inneriter += j_index_end - j_index_start;
328 /* Outer loop uses 8 flops */
331 /* Increment number of outer iterations */
334 /* Update outer/inner flops */
336 inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VF,outeriter*8 + inneriter*30);
339 * Gromacs nonbonded kernel: nb_kernel_ElecEw_VdwNone_GeomP1P1_F_avx_128_fma_single
340 * Electrostatics interaction: Ewald
341 * VdW interaction: None
342 * Geometry: Particle-Particle
343 * Calculate force/pot: Force
346 nb_kernel_ElecEw_VdwNone_GeomP1P1_F_avx_128_fma_single
347 (t_nblist * gmx_restrict nlist,
348 rvec * gmx_restrict xx,
349 rvec * gmx_restrict ff,
350 t_forcerec * gmx_restrict fr,
351 t_mdatoms * gmx_restrict mdatoms,
352 nb_kernel_data_t * gmx_restrict kernel_data,
353 t_nrnb * gmx_restrict nrnb)
355 /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or
356 * just 0 for non-waters.
357 * Suffixes A,B,C,D refer to j loop unrolling done with AVX_128, e.g. for the four different
358 * jnr indices corresponding to data put in the four positions in the SIMD register.
360 int i_shift_offset,i_coord_offset,outeriter,inneriter;
361 int j_index_start,j_index_end,jidx,nri,inr,ggid,iidx;
362 int jnrA,jnrB,jnrC,jnrD;
363 int jnrlistA,jnrlistB,jnrlistC,jnrlistD;
364 int j_coord_offsetA,j_coord_offsetB,j_coord_offsetC,j_coord_offsetD;
365 int *iinr,*jindex,*jjnr,*shiftidx,*gid;
367 real *shiftvec,*fshift,*x,*f;
368 real *fjptrA,*fjptrB,*fjptrC,*fjptrD;
370 __m128 fscal,rcutoff,rcutoff2,jidxall;
372 __m128 ix0,iy0,iz0,fix0,fiy0,fiz0,iq0,isai0;
373 int vdwjidx0A,vdwjidx0B,vdwjidx0C,vdwjidx0D;
374 __m128 jx0,jy0,jz0,fjx0,fjy0,fjz0,jq0,isaj0;
375 __m128 dx00,dy00,dz00,rsq00,rinv00,rinvsq00,r00,qq00,c6_00,c12_00;
376 __m128 velec,felec,velecsum,facel,crf,krf,krf2;
379 __m128 ewtabscale,eweps,twoeweps,sh_ewald,ewrt,ewtabhalfspace,ewtabF,ewtabFn,ewtabD,ewtabV;
380 __m128 beta,beta2,beta3,zeta2,pmecorrF,pmecorrV,rinv3;
382 __m128 dummy_mask,cutoff_mask;
383 __m128 signbit = _mm_castsi128_ps( _mm_set1_epi32(0x80000000) );
384 __m128 one = _mm_set1_ps(1.0);
385 __m128 two = _mm_set1_ps(2.0);
391 jindex = nlist->jindex;
393 shiftidx = nlist->shift;
395 shiftvec = fr->shift_vec[0];
396 fshift = fr->fshift[0];
397 facel = _mm_set1_ps(fr->epsfac);
398 charge = mdatoms->chargeA;
400 sh_ewald = _mm_set1_ps(fr->ic->sh_ewald);
401 beta = _mm_set1_ps(fr->ic->ewaldcoeff);
402 beta2 = _mm_mul_ps(beta,beta);
403 beta3 = _mm_mul_ps(beta,beta2);
404 ewtab = fr->ic->tabq_coul_F;
405 ewtabscale = _mm_set1_ps(fr->ic->tabq_scale);
406 ewtabhalfspace = _mm_set1_ps(0.5/fr->ic->tabq_scale);
408 /* Avoid stupid compiler warnings */
409 jnrA = jnrB = jnrC = jnrD = 0;
418 for(iidx=0;iidx<4*DIM;iidx++)
423 /* Start outer loop over neighborlists */
424 for(iidx=0; iidx<nri; iidx++)
426 /* Load shift vector for this list */
427 i_shift_offset = DIM*shiftidx[iidx];
429 /* Load limits for loop over neighbors */
430 j_index_start = jindex[iidx];
431 j_index_end = jindex[iidx+1];
433 /* Get outer coordinate index */
435 i_coord_offset = DIM*inr;
437 /* Load i particle coords and add shift vector */
438 gmx_mm_load_shift_and_1rvec_broadcast_ps(shiftvec+i_shift_offset,x+i_coord_offset,&ix0,&iy0,&iz0);
440 fix0 = _mm_setzero_ps();
441 fiy0 = _mm_setzero_ps();
442 fiz0 = _mm_setzero_ps();
444 /* Load parameters for i particles */
445 iq0 = _mm_mul_ps(facel,_mm_load1_ps(charge+inr+0));
447 /* Start inner kernel loop */
448 for(jidx=j_index_start; jidx<j_index_end && jjnr[jidx+3]>=0; jidx+=4)
451 /* Get j neighbor index, and coordinate index */
456 j_coord_offsetA = DIM*jnrA;
457 j_coord_offsetB = DIM*jnrB;
458 j_coord_offsetC = DIM*jnrC;
459 j_coord_offsetD = DIM*jnrD;
461 /* load j atom coordinates */
462 gmx_mm_load_1rvec_4ptr_swizzle_ps(x+j_coord_offsetA,x+j_coord_offsetB,
463 x+j_coord_offsetC,x+j_coord_offsetD,
466 /* Calculate displacement vector */
467 dx00 = _mm_sub_ps(ix0,jx0);
468 dy00 = _mm_sub_ps(iy0,jy0);
469 dz00 = _mm_sub_ps(iz0,jz0);
471 /* Calculate squared distance and things based on it */
472 rsq00 = gmx_mm_calc_rsq_ps(dx00,dy00,dz00);
474 rinv00 = gmx_mm_invsqrt_ps(rsq00);
476 rinvsq00 = _mm_mul_ps(rinv00,rinv00);
478 /* Load parameters for j particles */
479 jq0 = gmx_mm_load_4real_swizzle_ps(charge+jnrA+0,charge+jnrB+0,
480 charge+jnrC+0,charge+jnrD+0);
482 /**************************
483 * CALCULATE INTERACTIONS *
484 **************************/
486 r00 = _mm_mul_ps(rsq00,rinv00);
488 /* Compute parameters for interactions between i and j atoms */
489 qq00 = _mm_mul_ps(iq0,jq0);
491 /* EWALD ELECTROSTATICS */
493 /* Analytical PME correction */
494 zeta2 = _mm_mul_ps(beta2,rsq00);
495 rinv3 = _mm_mul_ps(rinvsq00,rinv00);
496 pmecorrF = gmx_mm_pmecorrF_ps(zeta2);
497 felec = _mm_macc_ps(pmecorrF,beta3,rinv3);
498 felec = _mm_mul_ps(qq00,felec);
502 /* Update vectorial force */
503 fix0 = _mm_macc_ps(dx00,fscal,fix0);
504 fiy0 = _mm_macc_ps(dy00,fscal,fiy0);
505 fiz0 = _mm_macc_ps(dz00,fscal,fiz0);
507 fjptrA = f+j_coord_offsetA;
508 fjptrB = f+j_coord_offsetB;
509 fjptrC = f+j_coord_offsetC;
510 fjptrD = f+j_coord_offsetD;
511 gmx_mm_decrement_1rvec_4ptr_swizzle_ps(fjptrA,fjptrB,fjptrC,fjptrD,
512 _mm_mul_ps(dx00,fscal),
513 _mm_mul_ps(dy00,fscal),
514 _mm_mul_ps(dz00,fscal));
516 /* Inner loop uses 28 flops */
522 /* Get j neighbor index, and coordinate index */
523 jnrlistA = jjnr[jidx];
524 jnrlistB = jjnr[jidx+1];
525 jnrlistC = jjnr[jidx+2];
526 jnrlistD = jjnr[jidx+3];
527 /* Sign of each element will be negative for non-real atoms.
528 * This mask will be 0xFFFFFFFF for dummy entries and 0x0 for real ones,
529 * so use it as val = _mm_andnot_ps(mask,val) to clear dummy entries.
531 dummy_mask = gmx_mm_castsi128_ps(_mm_cmplt_epi32(_mm_loadu_si128((const __m128i *)(jjnr+jidx)),_mm_setzero_si128()));
532 jnrA = (jnrlistA>=0) ? jnrlistA : 0;
533 jnrB = (jnrlistB>=0) ? jnrlistB : 0;
534 jnrC = (jnrlistC>=0) ? jnrlistC : 0;
535 jnrD = (jnrlistD>=0) ? jnrlistD : 0;
536 j_coord_offsetA = DIM*jnrA;
537 j_coord_offsetB = DIM*jnrB;
538 j_coord_offsetC = DIM*jnrC;
539 j_coord_offsetD = DIM*jnrD;
541 /* load j atom coordinates */
542 gmx_mm_load_1rvec_4ptr_swizzle_ps(x+j_coord_offsetA,x+j_coord_offsetB,
543 x+j_coord_offsetC,x+j_coord_offsetD,
546 /* Calculate displacement vector */
547 dx00 = _mm_sub_ps(ix0,jx0);
548 dy00 = _mm_sub_ps(iy0,jy0);
549 dz00 = _mm_sub_ps(iz0,jz0);
551 /* Calculate squared distance and things based on it */
552 rsq00 = gmx_mm_calc_rsq_ps(dx00,dy00,dz00);
554 rinv00 = gmx_mm_invsqrt_ps(rsq00);
556 rinvsq00 = _mm_mul_ps(rinv00,rinv00);
558 /* Load parameters for j particles */
559 jq0 = gmx_mm_load_4real_swizzle_ps(charge+jnrA+0,charge+jnrB+0,
560 charge+jnrC+0,charge+jnrD+0);
562 /**************************
563 * CALCULATE INTERACTIONS *
564 **************************/
566 r00 = _mm_mul_ps(rsq00,rinv00);
567 r00 = _mm_andnot_ps(dummy_mask,r00);
569 /* Compute parameters for interactions between i and j atoms */
570 qq00 = _mm_mul_ps(iq0,jq0);
572 /* EWALD ELECTROSTATICS */
574 /* Analytical PME correction */
575 zeta2 = _mm_mul_ps(beta2,rsq00);
576 rinv3 = _mm_mul_ps(rinvsq00,rinv00);
577 pmecorrF = gmx_mm_pmecorrF_ps(zeta2);
578 felec = _mm_macc_ps(pmecorrF,beta3,rinv3);
579 felec = _mm_mul_ps(qq00,felec);
583 fscal = _mm_andnot_ps(dummy_mask,fscal);
585 /* Update vectorial force */
586 fix0 = _mm_macc_ps(dx00,fscal,fix0);
587 fiy0 = _mm_macc_ps(dy00,fscal,fiy0);
588 fiz0 = _mm_macc_ps(dz00,fscal,fiz0);
590 fjptrA = (jnrlistA>=0) ? f+j_coord_offsetA : scratch;
591 fjptrB = (jnrlistB>=0) ? f+j_coord_offsetB : scratch;
592 fjptrC = (jnrlistC>=0) ? f+j_coord_offsetC : scratch;
593 fjptrD = (jnrlistD>=0) ? f+j_coord_offsetD : scratch;
594 gmx_mm_decrement_1rvec_4ptr_swizzle_ps(fjptrA,fjptrB,fjptrC,fjptrD,
595 _mm_mul_ps(dx00,fscal),
596 _mm_mul_ps(dy00,fscal),
597 _mm_mul_ps(dz00,fscal));
599 /* Inner loop uses 29 flops */
602 /* End of innermost loop */
604 gmx_mm_update_iforce_1atom_swizzle_ps(fix0,fiy0,fiz0,
605 f+i_coord_offset,fshift+i_shift_offset);
607 /* Increment number of inner iterations */
608 inneriter += j_index_end - j_index_start;
610 /* Outer loop uses 7 flops */
613 /* Increment number of outer iterations */
616 /* Update outer/inner flops */
618 inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_F,outeriter*7 + inneriter*29);