src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_sse4_1_double.c

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
   3  *
   4  * Copyright (c) 2012,2013, by the GROMACS development team, led by
   5  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
   6  * and including many others, as listed in the AUTHORS file in the
   7  * top-level source directory and at http://www.gromacs.org.
   8  *
   9  * GROMACS is free software; you can redistribute it and/or
  10  * modify it under the terms of the GNU Lesser General Public License
  11  * as published by the Free Software Foundation; either version 2.1
  12  * of the License, or (at your option) any later version.
  13  *
  14  * GROMACS is distributed in the hope that it will be useful,
  15  * but WITHOUT ANY WARRANTY; without even the implied warranty of
  16  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
  17  * Lesser General Public License for more details.
  18  *
  19  * You should have received a copy of the GNU Lesser General Public
  20  * License along with GROMACS; if not, see
  21  * http://www.gnu.org/licenses, or write to the Free Software Foundation,
  22  * Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
  23  *
  24  * If you want to redistribute modifications to GROMACS, please
  25  * consider that scientific software is very special. Version
  26  * control is crucial - bugs must be traceable. We will be happy to
  27  * consider code for inclusion in the official distribution, but
  28  * derived work must not be called official GROMACS. Details are found
  29  * in the README & COPYING files - if they are missing, get the
  30  * official version at http://www.gromacs.org.
  31  *
  32  * To help us fund GROMACS development, we humbly ask that you cite
  33  * the research papers on the package. Check out http://www.gromacs.org.
  34  */
  35 /*
  36  * Note: this file was generated by the GROMACS sse4_1_double kernel generator.
  37  */
  38 #ifdef HAVE_CONFIG_H
  39 #include <config.h>
  40 #endif
  41
  42 #include <math.h>
  43
  44 #include "../nb_kernel.h"
  45 #include "types/simple.h"
  46 #include "vec.h"
  47 #include "nrnb.h"
  48
  49 #include "gromacs/simd/math_x86_sse4_1_double.h"
  50 #include "kernelutil_x86_sse4_1_double.h"
  51
  52 /*
  53  * Gromacs nonbonded kernel:   nb_kernel_ElecRFCut_VdwNone_GeomP1P1_VF_sse4_1_double
  54  * Electrostatics interaction: ReactionField
  55  * VdW interaction:            None
  56  * Geometry:                   Particle-Particle
  57  * Calculate force/pot:        PotentialAndForce
  58  */
  59 void
  60 nb_kernel_ElecRFCut_VdwNone_GeomP1P1_VF_sse4_1_double
  61                     (t_nblist                    * gmx_restrict       nlist,
  62                      rvec                        * gmx_restrict          xx,
  63                      rvec                        * gmx_restrict          ff,
  64                      t_forcerec                  * gmx_restrict          fr,
  65                      t_mdatoms                   * gmx_restrict     mdatoms,
  66                      nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
  67                      t_nrnb                      * gmx_restrict        nrnb)
  68 {
  69     /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or
  70      * just 0 for non-waters.
  71      * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different
  72      * jnr indices corresponding to data put in the four positions in the SIMD register.
  73      */
  74     int              i_shift_offset,i_coord_offset,outeriter,inneriter;
  75     int              j_index_start,j_index_end,jidx,nri,inr,ggid,iidx;
  76     int              jnrA,jnrB;
  77     int              j_coord_offsetA,j_coord_offsetB;
  78     int              *iinr,*jindex,*jjnr,*shiftidx,*gid;
  79     real             rcutoff_scalar;
  80     real             *shiftvec,*fshift,*x,*f;
  81     __m128d          tx,ty,tz,fscal,rcutoff,rcutoff2,jidxall;
  82     int              vdwioffset0;
  83     __m128d          ix0,iy0,iz0,fix0,fiy0,fiz0,iq0,isai0;
  84     int              vdwjidx0A,vdwjidx0B;
  85     __m128d          jx0,jy0,jz0,fjx0,fjy0,fjz0,jq0,isaj0;
  86     __m128d          dx00,dy00,dz00,rsq00,rinv00,rinvsq00,r00,qq00,c6_00,c12_00;
  87     __m128d          velec,felec,velecsum,facel,crf,krf,krf2;
  88     real             *charge;
  89     __m128d          dummy_mask,cutoff_mask;
  90     __m128d          signbit   = gmx_mm_castsi128_pd( _mm_set_epi32(0x80000000,0x00000000,0x80000000,0x00000000) );
  91     __m128d          one     = _mm_set1_pd(1.0);
  92     __m128d          two     = _mm_set1_pd(2.0);
  93     x                = xx[0];
  94     f                = ff[0];
  95
  96     nri              = nlist->nri;
  97     iinr             = nlist->iinr;
  98     jindex           = nlist->jindex;
  99     jjnr             = nlist->jjnr;
 100     shiftidx         = nlist->shift;
 101     gid              = nlist->gid;
 102     shiftvec         = fr->shift_vec[0];
 103     fshift           = fr->fshift[0];
 104     facel            = _mm_set1_pd(fr->epsfac);
 105     charge           = mdatoms->chargeA;
 106     krf              = _mm_set1_pd(fr->ic->k_rf);
 107     krf2             = _mm_set1_pd(fr->ic->k_rf*2.0);
 108     crf              = _mm_set1_pd(fr->ic->c_rf);
 109
 110     /* When we use explicit cutoffs the value must be identical for elec and VdW, so use elec as an arbitrary choice */
 111     rcutoff_scalar   = fr->rcoulomb;
 112     rcutoff          = _mm_set1_pd(rcutoff_scalar);
 113     rcutoff2         = _mm_mul_pd(rcutoff,rcutoff);
 114
 115     /* Avoid stupid compiler warnings */
 116     jnrA = jnrB = 0;
 117     j_coord_offsetA = 0;
 118     j_coord_offsetB = 0;
 119
 120     outeriter        = 0;
 121     inneriter        = 0;
 122
 123     /* Start outer loop over neighborlists */
 124     for(iidx=0; iidx<nri; iidx++)
 125     {
 126         /* Load shift vector for this list */
 127         i_shift_offset   = DIM*shiftidx[iidx];
 128
 129         /* Load limits for loop over neighbors */
 130         j_index_start    = jindex[iidx];
 131         j_index_end      = jindex[iidx+1];
 132
 133         /* Get outer coordinate index */
 134         inr              = iinr[iidx];
 135         i_coord_offset   = DIM*inr;
 136
 137         /* Load i particle coords and add shift vector */
 138         gmx_mm_load_shift_and_1rvec_broadcast_pd(shiftvec+i_shift_offset,x+i_coord_offset,&ix0,&iy0,&iz0);
 139
 140         fix0             = _mm_setzero_pd();
 141         fiy0             = _mm_setzero_pd();
 142         fiz0             = _mm_setzero_pd();
 143
 144         /* Load parameters for i particles */
 145         iq0              = _mm_mul_pd(facel,_mm_load1_pd(charge+inr+0));
 146
 147         /* Reset potential sums */
 148         velecsum         = _mm_setzero_pd();
 149
 150         /* Start inner kernel loop */
 151         for(jidx=j_index_start; jidx<j_index_end-1; jidx+=2)
 152         {
 153
 154             /* Get j neighbor index, and coordinate index */
 155             jnrA             = jjnr[jidx];
 156             jnrB             = jjnr[jidx+1];
 157             j_coord_offsetA  = DIM*jnrA;
 158             j_coord_offsetB  = DIM*jnrB;
 159
 160             /* load j atom coordinates */
 161             gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB,
 162                                               &jx0,&jy0,&jz0);
 163
 164             /* Calculate displacement vector */
 165             dx00             = _mm_sub_pd(ix0,jx0);
 166             dy00             = _mm_sub_pd(iy0,jy0);
 167             dz00             = _mm_sub_pd(iz0,jz0);
 168
 169             /* Calculate squared distance and things based on it */
 170             rsq00            = gmx_mm_calc_rsq_pd(dx00,dy00,dz00);
 171
 172             rinv00           = gmx_mm_invsqrt_pd(rsq00);
 173
 174             rinvsq00         = _mm_mul_pd(rinv00,rinv00);
 175
 176             /* Load parameters for j particles */
 177             jq0              = gmx_mm_load_2real_swizzle_pd(charge+jnrA+0,charge+jnrB+0);
 178
 179             /**************************
 180              * CALCULATE INTERACTIONS *
 181              **************************/
 182
 183             if (gmx_mm_any_lt(rsq00,rcutoff2))
 184             {
 185
 186             /* Compute parameters for interactions between i and j atoms */
 187             qq00             = _mm_mul_pd(iq0,jq0);
 188
 189             /* REACTION-FIELD ELECTROSTATICS */
 190             velec            = _mm_mul_pd(qq00,_mm_sub_pd(_mm_add_pd(rinv00,_mm_mul_pd(krf,rsq00)),crf));
 191             felec            = _mm_mul_pd(qq00,_mm_sub_pd(_mm_mul_pd(rinv00,rinvsq00),krf2));
 192
 193             cutoff_mask      = _mm_cmplt_pd(rsq00,rcutoff2);
 194
 195             /* Update potential sum for this i atom from the interaction with this j atom. */
 196             velec            = _mm_and_pd(velec,cutoff_mask);
 197             velecsum         = _mm_add_pd(velecsum,velec);
 198
 199             fscal            = felec;
 200
 201             fscal            = _mm_and_pd(fscal,cutoff_mask);
 202
 203             /* Calculate temporary vectorial force */
 204             tx               = _mm_mul_pd(fscal,dx00);
 205             ty               = _mm_mul_pd(fscal,dy00);
 206             tz               = _mm_mul_pd(fscal,dz00);
 207
 208             /* Update vectorial force */
 209             fix0             = _mm_add_pd(fix0,tx);
 210             fiy0             = _mm_add_pd(fiy0,ty);
 211             fiz0             = _mm_add_pd(fiz0,tz);
 212
 213             gmx_mm_decrement_1rvec_2ptr_swizzle_pd(f+j_coord_offsetA,f+j_coord_offsetB,tx,ty,tz);
 214
 215             }
 216
 217             /* Inner loop uses 36 flops */
 218         }
 219
 220         if(jidx<j_index_end)
 221         {
 222
 223             jnrA             = jjnr[jidx];
 224             j_coord_offsetA  = DIM*jnrA;
 225
 226             /* load j atom coordinates */
 227             gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA,
 228                                               &jx0,&jy0,&jz0);
 229
 230             /* Calculate displacement vector */
 231             dx00             = _mm_sub_pd(ix0,jx0);
 232             dy00             = _mm_sub_pd(iy0,jy0);
 233             dz00             = _mm_sub_pd(iz0,jz0);
 234
 235             /* Calculate squared distance and things based on it */
 236             rsq00            = gmx_mm_calc_rsq_pd(dx00,dy00,dz00);
 237
 238             rinv00           = gmx_mm_invsqrt_pd(rsq00);
 239
 240             rinvsq00         = _mm_mul_pd(rinv00,rinv00);
 241
 242             /* Load parameters for j particles */
 243             jq0              = _mm_load_sd(charge+jnrA+0);
 244
 245             /**************************
 246              * CALCULATE INTERACTIONS *
 247              **************************/
 248
 249             if (gmx_mm_any_lt(rsq00,rcutoff2))
 250             {
 251
 252             /* Compute parameters for interactions between i and j atoms */
 253             qq00             = _mm_mul_pd(iq0,jq0);
 254
 255             /* REACTION-FIELD ELECTROSTATICS */
 256             velec            = _mm_mul_pd(qq00,_mm_sub_pd(_mm_add_pd(rinv00,_mm_mul_pd(krf,rsq00)),crf));
 257             felec            = _mm_mul_pd(qq00,_mm_sub_pd(_mm_mul_pd(rinv00,rinvsq00),krf2));
 258
 259             cutoff_mask      = _mm_cmplt_pd(rsq00,rcutoff2);
 260
 261             /* Update potential sum for this i atom from the interaction with this j atom. */
 262             velec            = _mm_and_pd(velec,cutoff_mask);
 263             velec            = _mm_unpacklo_pd(velec,_mm_setzero_pd());
 264             velecsum         = _mm_add_pd(velecsum,velec);
 265
 266             fscal            = felec;
 267
 268             fscal            = _mm_and_pd(fscal,cutoff_mask);
 269
 270             fscal            = _mm_unpacklo_pd(fscal,_mm_setzero_pd());
 271
 272             /* Calculate temporary vectorial force */
 273             tx               = _mm_mul_pd(fscal,dx00);
 274             ty               = _mm_mul_pd(fscal,dy00);
 275             tz               = _mm_mul_pd(fscal,dz00);
 276
 277             /* Update vectorial force */
 278             fix0             = _mm_add_pd(fix0,tx);
 279             fiy0             = _mm_add_pd(fiy0,ty);
 280             fiz0             = _mm_add_pd(fiz0,tz);
 281
 282             gmx_mm_decrement_1rvec_1ptr_swizzle_pd(f+j_coord_offsetA,tx,ty,tz);
 283
 284             }
 285
 286             /* Inner loop uses 36 flops */
 287         }
 288
 289         /* End of innermost loop */
 290
 291         gmx_mm_update_iforce_1atom_swizzle_pd(fix0,fiy0,fiz0,
 292                                               f+i_coord_offset,fshift+i_shift_offset);
 293
 294         ggid                        = gid[iidx];
 295         /* Update potential energies */
 296         gmx_mm_update_1pot_pd(velecsum,kernel_data->energygrp_elec+ggid);
 297
 298         /* Increment number of inner iterations */
 299         inneriter                  += j_index_end - j_index_start;
 300
 301         /* Outer loop uses 8 flops */
 302     }
 303
 304     /* Increment number of outer iterations */
 305     outeriter        += nri;
 306
 307     /* Update outer/inner flops */
 308
 309     inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_VF,outeriter*8 + inneriter*36);
 310 }
 311 /*
 312  * Gromacs nonbonded kernel:   nb_kernel_ElecRFCut_VdwNone_GeomP1P1_F_sse4_1_double
 313  * Electrostatics interaction: ReactionField
 314  * VdW interaction:            None
 315  * Geometry:                   Particle-Particle
 316  * Calculate force/pot:        Force
 317  */
 318 void
 319 nb_kernel_ElecRFCut_VdwNone_GeomP1P1_F_sse4_1_double
 320                     (t_nblist                    * gmx_restrict       nlist,
 321                      rvec                        * gmx_restrict          xx,
 322                      rvec                        * gmx_restrict          ff,
 323                      t_forcerec                  * gmx_restrict          fr,
 324                      t_mdatoms                   * gmx_restrict     mdatoms,
 325                      nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
 326                      t_nrnb                      * gmx_restrict        nrnb)
 327 {
 328     /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or
 329      * just 0 for non-waters.
 330      * Suffixes A,B refer to j loop unrolling done with SSE double precision, e.g. for the two different
 331      * jnr indices corresponding to data put in the four positions in the SIMD register.
 332      */
 333     int              i_shift_offset,i_coord_offset,outeriter,inneriter;
 334     int              j_index_start,j_index_end,jidx,nri,inr,ggid,iidx;
 335     int              jnrA,jnrB;
 336     int              j_coord_offsetA,j_coord_offsetB;
 337     int              *iinr,*jindex,*jjnr,*shiftidx,*gid;
 338     real             rcutoff_scalar;
 339     real             *shiftvec,*fshift,*x,*f;
 340     __m128d          tx,ty,tz,fscal,rcutoff,rcutoff2,jidxall;
 341     int              vdwioffset0;
 342     __m128d          ix0,iy0,iz0,fix0,fiy0,fiz0,iq0,isai0;
 343     int              vdwjidx0A,vdwjidx0B;
 344     __m128d          jx0,jy0,jz0,fjx0,fjy0,fjz0,jq0,isaj0;
 345     __m128d          dx00,dy00,dz00,rsq00,rinv00,rinvsq00,r00,qq00,c6_00,c12_00;
 346     __m128d          velec,felec,velecsum,facel,crf,krf,krf2;
 347     real             *charge;
 348     __m128d          dummy_mask,cutoff_mask;
 349     __m128d          signbit   = gmx_mm_castsi128_pd( _mm_set_epi32(0x80000000,0x00000000,0x80000000,0x00000000) );
 350     __m128d          one     = _mm_set1_pd(1.0);
 351     __m128d          two     = _mm_set1_pd(2.0);
 352     x                = xx[0];
 353     f                = ff[0];
 354
 355     nri              = nlist->nri;
 356     iinr             = nlist->iinr;
 357     jindex           = nlist->jindex;
 358     jjnr             = nlist->jjnr;
 359     shiftidx         = nlist->shift;
 360     gid              = nlist->gid;
 361     shiftvec         = fr->shift_vec[0];
 362     fshift           = fr->fshift[0];
 363     facel            = _mm_set1_pd(fr->epsfac);
 364     charge           = mdatoms->chargeA;
 365     krf              = _mm_set1_pd(fr->ic->k_rf);
 366     krf2             = _mm_set1_pd(fr->ic->k_rf*2.0);
 367     crf              = _mm_set1_pd(fr->ic->c_rf);
 368
 369     /* When we use explicit cutoffs the value must be identical for elec and VdW, so use elec as an arbitrary choice */
 370     rcutoff_scalar   = fr->rcoulomb;
 371     rcutoff          = _mm_set1_pd(rcutoff_scalar);
 372     rcutoff2         = _mm_mul_pd(rcutoff,rcutoff);
 373
 374     /* Avoid stupid compiler warnings */
 375     jnrA = jnrB = 0;
 376     j_coord_offsetA = 0;
 377     j_coord_offsetB = 0;
 378
 379     outeriter        = 0;
 380     inneriter        = 0;
 381
 382     /* Start outer loop over neighborlists */
 383     for(iidx=0; iidx<nri; iidx++)
 384     {
 385         /* Load shift vector for this list */
 386         i_shift_offset   = DIM*shiftidx[iidx];
 387
 388         /* Load limits for loop over neighbors */
 389         j_index_start    = jindex[iidx];
 390         j_index_end      = jindex[iidx+1];
 391
 392         /* Get outer coordinate index */
 393         inr              = iinr[iidx];
 394         i_coord_offset   = DIM*inr;
 395
 396         /* Load i particle coords and add shift vector */
 397         gmx_mm_load_shift_and_1rvec_broadcast_pd(shiftvec+i_shift_offset,x+i_coord_offset,&ix0,&iy0,&iz0);
 398
 399         fix0             = _mm_setzero_pd();
 400         fiy0             = _mm_setzero_pd();
 401         fiz0             = _mm_setzero_pd();
 402
 403         /* Load parameters for i particles */
 404         iq0              = _mm_mul_pd(facel,_mm_load1_pd(charge+inr+0));
 405
 406         /* Start inner kernel loop */
 407         for(jidx=j_index_start; jidx<j_index_end-1; jidx+=2)
 408         {
 409
 410             /* Get j neighbor index, and coordinate index */
 411             jnrA             = jjnr[jidx];
 412             jnrB             = jjnr[jidx+1];
 413             j_coord_offsetA  = DIM*jnrA;
 414             j_coord_offsetB  = DIM*jnrB;
 415
 416             /* load j atom coordinates */
 417             gmx_mm_load_1rvec_2ptr_swizzle_pd(x+j_coord_offsetA,x+j_coord_offsetB,
 418                                               &jx0,&jy0,&jz0);
 419
 420             /* Calculate displacement vector */
 421             dx00             = _mm_sub_pd(ix0,jx0);
 422             dy00             = _mm_sub_pd(iy0,jy0);
 423             dz00             = _mm_sub_pd(iz0,jz0);
 424
 425             /* Calculate squared distance and things based on it */
 426             rsq00            = gmx_mm_calc_rsq_pd(dx00,dy00,dz00);
 427
 428             rinv00           = gmx_mm_invsqrt_pd(rsq00);
 429
 430             rinvsq00         = _mm_mul_pd(rinv00,rinv00);
 431
 432             /* Load parameters for j particles */
 433             jq0              = gmx_mm_load_2real_swizzle_pd(charge+jnrA+0,charge+jnrB+0);
 434
 435             /**************************
 436              * CALCULATE INTERACTIONS *
 437              **************************/
 438
 439             if (gmx_mm_any_lt(rsq00,rcutoff2))
 440             {
 441
 442             /* Compute parameters for interactions between i and j atoms */
 443             qq00             = _mm_mul_pd(iq0,jq0);
 444
 445             /* REACTION-FIELD ELECTROSTATICS */
 446             felec            = _mm_mul_pd(qq00,_mm_sub_pd(_mm_mul_pd(rinv00,rinvsq00),krf2));
 447
 448             cutoff_mask      = _mm_cmplt_pd(rsq00,rcutoff2);
 449
 450             fscal            = felec;
 451
 452             fscal            = _mm_and_pd(fscal,cutoff_mask);
 453
 454             /* Calculate temporary vectorial force */
 455             tx               = _mm_mul_pd(fscal,dx00);
 456             ty               = _mm_mul_pd(fscal,dy00);
 457             tz               = _mm_mul_pd(fscal,dz00);
 458
 459             /* Update vectorial force */
 460             fix0             = _mm_add_pd(fix0,tx);
 461             fiy0             = _mm_add_pd(fiy0,ty);
 462             fiz0             = _mm_add_pd(fiz0,tz);
 463
 464             gmx_mm_decrement_1rvec_2ptr_swizzle_pd(f+j_coord_offsetA,f+j_coord_offsetB,tx,ty,tz);
 465
 466             }
 467
 468             /* Inner loop uses 30 flops */
 469         }
 470
 471         if(jidx<j_index_end)
 472         {
 473
 474             jnrA             = jjnr[jidx];
 475             j_coord_offsetA  = DIM*jnrA;
 476
 477             /* load j atom coordinates */
 478             gmx_mm_load_1rvec_1ptr_swizzle_pd(x+j_coord_offsetA,
 479                                               &jx0,&jy0,&jz0);
 480
 481             /* Calculate displacement vector */
 482             dx00             = _mm_sub_pd(ix0,jx0);
 483             dy00             = _mm_sub_pd(iy0,jy0);
 484             dz00             = _mm_sub_pd(iz0,jz0);
 485
 486             /* Calculate squared distance and things based on it */
 487             rsq00            = gmx_mm_calc_rsq_pd(dx00,dy00,dz00);
 488
 489             rinv00           = gmx_mm_invsqrt_pd(rsq00);
 490
 491             rinvsq00         = _mm_mul_pd(rinv00,rinv00);
 492
 493             /* Load parameters for j particles */
 494             jq0              = _mm_load_sd(charge+jnrA+0);
 495
 496             /**************************
 497              * CALCULATE INTERACTIONS *
 498              **************************/
 499
 500             if (gmx_mm_any_lt(rsq00,rcutoff2))
 501             {
 502
 503             /* Compute parameters for interactions between i and j atoms */
 504             qq00             = _mm_mul_pd(iq0,jq0);
 505
 506             /* REACTION-FIELD ELECTROSTATICS */
 507             felec            = _mm_mul_pd(qq00,_mm_sub_pd(_mm_mul_pd(rinv00,rinvsq00),krf2));
 508
 509             cutoff_mask      = _mm_cmplt_pd(rsq00,rcutoff2);
 510
 511             fscal            = felec;
 512
 513             fscal            = _mm_and_pd(fscal,cutoff_mask);
 514
 515             fscal            = _mm_unpacklo_pd(fscal,_mm_setzero_pd());
 516
 517             /* Calculate temporary vectorial force */
 518             tx               = _mm_mul_pd(fscal,dx00);
 519             ty               = _mm_mul_pd(fscal,dy00);
 520             tz               = _mm_mul_pd(fscal,dz00);
 521
 522             /* Update vectorial force */
 523             fix0             = _mm_add_pd(fix0,tx);
 524             fiy0             = _mm_add_pd(fiy0,ty);
 525             fiz0             = _mm_add_pd(fiz0,tz);
 526
 527             gmx_mm_decrement_1rvec_1ptr_swizzle_pd(f+j_coord_offsetA,tx,ty,tz);
 528
 529             }
 530
 531             /* Inner loop uses 30 flops */
 532         }
 533
 534         /* End of innermost loop */
 535
 536         gmx_mm_update_iforce_1atom_swizzle_pd(fix0,fiy0,fiz0,
 537                                               f+i_coord_offset,fshift+i_shift_offset);
 538
 539         /* Increment number of inner iterations */
 540         inneriter                  += j_index_end - j_index_start;
 541
 542         /* Outer loop uses 7 flops */
 543     }
 544
 545     /* Increment number of outer iterations */
 546     outeriter        += nri;
 547
 548     /* Update outer/inner flops */
 549
 550     inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_F,outeriter*7 + inneriter*30);
 551 }