File: | gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse4_1_single.c |
Location: | line 126, column 5 |
Description: | Value stored to 'j_coord_offsetC' is never read |
1 | /* |
2 | * This file is part of the GROMACS molecular simulation package. |
3 | * |
4 | * Copyright (c) 2012,2013,2014, 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_single kernel generator. |
37 | */ |
38 | #ifdef HAVE_CONFIG_H1 |
39 | #include <config.h> |
40 | #endif |
41 | |
42 | #include <math.h> |
43 | |
44 | #include "../nb_kernel.h" |
45 | #include "types/simple.h" |
46 | #include "gromacs/math/vec.h" |
47 | #include "nrnb.h" |
48 | |
49 | #include "gromacs/simd/math_x86_sse4_1_single.h" |
50 | #include "kernelutil_x86_sse4_1_single.h" |
51 | |
52 | /* |
53 | * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW4P1_VF_sse4_1_single |
54 | * Electrostatics interaction: Coulomb |
55 | * VdW interaction: None |
56 | * Geometry: Water4-Particle |
57 | * Calculate force/pot: PotentialAndForce |
58 | */ |
59 | void |
60 | nb_kernel_ElecCoul_VdwNone_GeomW4P1_VF_sse4_1_single |
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__attribute__ ((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,C,D refer to j loop unrolling done with SSE, e.g. for the four 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,jnrC,jnrD; |
77 | int jnrlistA,jnrlistB,jnrlistC,jnrlistD; |
78 | int j_coord_offsetA,j_coord_offsetB,j_coord_offsetC,j_coord_offsetD; |
79 | int *iinr,*jindex,*jjnr,*shiftidx,*gid; |
80 | real rcutoff_scalar; |
81 | real *shiftvec,*fshift,*x,*f; |
82 | real *fjptrA,*fjptrB,*fjptrC,*fjptrD; |
83 | real scratch[4*DIM3]; |
84 | __m128 tx,ty,tz,fscal,rcutoff,rcutoff2,jidxall; |
85 | int vdwioffset1; |
86 | __m128 ix1,iy1,iz1,fix1,fiy1,fiz1,iq1,isai1; |
87 | int vdwioffset2; |
88 | __m128 ix2,iy2,iz2,fix2,fiy2,fiz2,iq2,isai2; |
89 | int vdwioffset3; |
90 | __m128 ix3,iy3,iz3,fix3,fiy3,fiz3,iq3,isai3; |
91 | int vdwjidx0A,vdwjidx0B,vdwjidx0C,vdwjidx0D; |
92 | __m128 jx0,jy0,jz0,fjx0,fjy0,fjz0,jq0,isaj0; |
93 | __m128 dx10,dy10,dz10,rsq10,rinv10,rinvsq10,r10,qq10,c6_10,c12_10; |
94 | __m128 dx20,dy20,dz20,rsq20,rinv20,rinvsq20,r20,qq20,c6_20,c12_20; |
95 | __m128 dx30,dy30,dz30,rsq30,rinv30,rinvsq30,r30,qq30,c6_30,c12_30; |
96 | __m128 velec,felec,velecsum,facel,crf,krf,krf2; |
97 | real *charge; |
98 | __m128 dummy_mask,cutoff_mask; |
99 | __m128 signbit = _mm_castsi128_ps( _mm_set1_epi32(0x80000000) ); |
100 | __m128 one = _mm_set1_ps(1.0); |
101 | __m128 two = _mm_set1_ps(2.0); |
102 | x = xx[0]; |
103 | f = ff[0]; |
104 | |
105 | nri = nlist->nri; |
106 | iinr = nlist->iinr; |
107 | jindex = nlist->jindex; |
108 | jjnr = nlist->jjnr; |
109 | shiftidx = nlist->shift; |
110 | gid = nlist->gid; |
111 | shiftvec = fr->shift_vec[0]; |
112 | fshift = fr->fshift[0]; |
113 | facel = _mm_set1_ps(fr->epsfac); |
114 | charge = mdatoms->chargeA; |
115 | |
116 | /* Setup water-specific parameters */ |
117 | inr = nlist->iinr[0]; |
118 | iq1 = _mm_mul_ps(facel,_mm_set1_ps(charge[inr+1])); |
119 | iq2 = _mm_mul_ps(facel,_mm_set1_ps(charge[inr+2])); |
120 | iq3 = _mm_mul_ps(facel,_mm_set1_ps(charge[inr+3])); |
121 | |
122 | /* Avoid stupid compiler warnings */ |
123 | jnrA = jnrB = jnrC = jnrD = 0; |
124 | j_coord_offsetA = 0; |
125 | j_coord_offsetB = 0; |
126 | j_coord_offsetC = 0; |
Value stored to 'j_coord_offsetC' is never read | |
127 | j_coord_offsetD = 0; |
128 | |
129 | outeriter = 0; |
130 | inneriter = 0; |
131 | |
132 | for(iidx=0;iidx<4*DIM3;iidx++) |
133 | { |
134 | scratch[iidx] = 0.0; |
135 | } |
136 | |
137 | /* Start outer loop over neighborlists */ |
138 | for(iidx=0; iidx<nri; iidx++) |
139 | { |
140 | /* Load shift vector for this list */ |
141 | i_shift_offset = DIM3*shiftidx[iidx]; |
142 | |
143 | /* Load limits for loop over neighbors */ |
144 | j_index_start = jindex[iidx]; |
145 | j_index_end = jindex[iidx+1]; |
146 | |
147 | /* Get outer coordinate index */ |
148 | inr = iinr[iidx]; |
149 | i_coord_offset = DIM3*inr; |
150 | |
151 | /* Load i particle coords and add shift vector */ |
152 | gmx_mm_load_shift_and_3rvec_broadcast_ps(shiftvec+i_shift_offset,x+i_coord_offset+DIM3, |
153 | &ix1,&iy1,&iz1,&ix2,&iy2,&iz2,&ix3,&iy3,&iz3); |
154 | |
155 | fix1 = _mm_setzero_ps(); |
156 | fiy1 = _mm_setzero_ps(); |
157 | fiz1 = _mm_setzero_ps(); |
158 | fix2 = _mm_setzero_ps(); |
159 | fiy2 = _mm_setzero_ps(); |
160 | fiz2 = _mm_setzero_ps(); |
161 | fix3 = _mm_setzero_ps(); |
162 | fiy3 = _mm_setzero_ps(); |
163 | fiz3 = _mm_setzero_ps(); |
164 | |
165 | /* Reset potential sums */ |
166 | velecsum = _mm_setzero_ps(); |
167 | |
168 | /* Start inner kernel loop */ |
169 | for(jidx=j_index_start; jidx<j_index_end && jjnr[jidx+3]>=0; jidx+=4) |
170 | { |
171 | |
172 | /* Get j neighbor index, and coordinate index */ |
173 | jnrA = jjnr[jidx]; |
174 | jnrB = jjnr[jidx+1]; |
175 | jnrC = jjnr[jidx+2]; |
176 | jnrD = jjnr[jidx+3]; |
177 | j_coord_offsetA = DIM3*jnrA; |
178 | j_coord_offsetB = DIM3*jnrB; |
179 | j_coord_offsetC = DIM3*jnrC; |
180 | j_coord_offsetD = DIM3*jnrD; |
181 | |
182 | /* load j atom coordinates */ |
183 | gmx_mm_load_1rvec_4ptr_swizzle_ps(x+j_coord_offsetA,x+j_coord_offsetB, |
184 | x+j_coord_offsetC,x+j_coord_offsetD, |
185 | &jx0,&jy0,&jz0); |
186 | |
187 | /* Calculate displacement vector */ |
188 | dx10 = _mm_sub_ps(ix1,jx0); |
189 | dy10 = _mm_sub_ps(iy1,jy0); |
190 | dz10 = _mm_sub_ps(iz1,jz0); |
191 | dx20 = _mm_sub_ps(ix2,jx0); |
192 | dy20 = _mm_sub_ps(iy2,jy0); |
193 | dz20 = _mm_sub_ps(iz2,jz0); |
194 | dx30 = _mm_sub_ps(ix3,jx0); |
195 | dy30 = _mm_sub_ps(iy3,jy0); |
196 | dz30 = _mm_sub_ps(iz3,jz0); |
197 | |
198 | /* Calculate squared distance and things based on it */ |
199 | rsq10 = gmx_mm_calc_rsq_ps(dx10,dy10,dz10); |
200 | rsq20 = gmx_mm_calc_rsq_ps(dx20,dy20,dz20); |
201 | rsq30 = gmx_mm_calc_rsq_ps(dx30,dy30,dz30); |
202 | |
203 | rinv10 = gmx_mm_invsqrt_psgmx_simd_invsqrt_f(rsq10); |
204 | rinv20 = gmx_mm_invsqrt_psgmx_simd_invsqrt_f(rsq20); |
205 | rinv30 = gmx_mm_invsqrt_psgmx_simd_invsqrt_f(rsq30); |
206 | |
207 | rinvsq10 = _mm_mul_ps(rinv10,rinv10); |
208 | rinvsq20 = _mm_mul_ps(rinv20,rinv20); |
209 | rinvsq30 = _mm_mul_ps(rinv30,rinv30); |
210 | |
211 | /* Load parameters for j particles */ |
212 | jq0 = gmx_mm_load_4real_swizzle_ps(charge+jnrA+0,charge+jnrB+0, |
213 | charge+jnrC+0,charge+jnrD+0); |
214 | |
215 | fjx0 = _mm_setzero_ps(); |
216 | fjy0 = _mm_setzero_ps(); |
217 | fjz0 = _mm_setzero_ps(); |
218 | |
219 | /************************** |
220 | * CALCULATE INTERACTIONS * |
221 | **************************/ |
222 | |
223 | /* Compute parameters for interactions between i and j atoms */ |
224 | qq10 = _mm_mul_ps(iq1,jq0); |
225 | |
226 | /* COULOMB ELECTROSTATICS */ |
227 | velec = _mm_mul_ps(qq10,rinv10); |
228 | felec = _mm_mul_ps(velec,rinvsq10); |
229 | |
230 | /* Update potential sum for this i atom from the interaction with this j atom. */ |
231 | velecsum = _mm_add_ps(velecsum,velec); |
232 | |
233 | fscal = felec; |
234 | |
235 | /* Calculate temporary vectorial force */ |
236 | tx = _mm_mul_ps(fscal,dx10); |
237 | ty = _mm_mul_ps(fscal,dy10); |
238 | tz = _mm_mul_ps(fscal,dz10); |
239 | |
240 | /* Update vectorial force */ |
241 | fix1 = _mm_add_ps(fix1,tx); |
242 | fiy1 = _mm_add_ps(fiy1,ty); |
243 | fiz1 = _mm_add_ps(fiz1,tz); |
244 | |
245 | fjx0 = _mm_add_ps(fjx0,tx); |
246 | fjy0 = _mm_add_ps(fjy0,ty); |
247 | fjz0 = _mm_add_ps(fjz0,tz); |
248 | |
249 | /************************** |
250 | * CALCULATE INTERACTIONS * |
251 | **************************/ |
252 | |
253 | /* Compute parameters for interactions between i and j atoms */ |
254 | qq20 = _mm_mul_ps(iq2,jq0); |
255 | |
256 | /* COULOMB ELECTROSTATICS */ |
257 | velec = _mm_mul_ps(qq20,rinv20); |
258 | felec = _mm_mul_ps(velec,rinvsq20); |
259 | |
260 | /* Update potential sum for this i atom from the interaction with this j atom. */ |
261 | velecsum = _mm_add_ps(velecsum,velec); |
262 | |
263 | fscal = felec; |
264 | |
265 | /* Calculate temporary vectorial force */ |
266 | tx = _mm_mul_ps(fscal,dx20); |
267 | ty = _mm_mul_ps(fscal,dy20); |
268 | tz = _mm_mul_ps(fscal,dz20); |
269 | |
270 | /* Update vectorial force */ |
271 | fix2 = _mm_add_ps(fix2,tx); |
272 | fiy2 = _mm_add_ps(fiy2,ty); |
273 | fiz2 = _mm_add_ps(fiz2,tz); |
274 | |
275 | fjx0 = _mm_add_ps(fjx0,tx); |
276 | fjy0 = _mm_add_ps(fjy0,ty); |
277 | fjz0 = _mm_add_ps(fjz0,tz); |
278 | |
279 | /************************** |
280 | * CALCULATE INTERACTIONS * |
281 | **************************/ |
282 | |
283 | /* Compute parameters for interactions between i and j atoms */ |
284 | qq30 = _mm_mul_ps(iq3,jq0); |
285 | |
286 | /* COULOMB ELECTROSTATICS */ |
287 | velec = _mm_mul_ps(qq30,rinv30); |
288 | felec = _mm_mul_ps(velec,rinvsq30); |
289 | |
290 | /* Update potential sum for this i atom from the interaction with this j atom. */ |
291 | velecsum = _mm_add_ps(velecsum,velec); |
292 | |
293 | fscal = felec; |
294 | |
295 | /* Calculate temporary vectorial force */ |
296 | tx = _mm_mul_ps(fscal,dx30); |
297 | ty = _mm_mul_ps(fscal,dy30); |
298 | tz = _mm_mul_ps(fscal,dz30); |
299 | |
300 | /* Update vectorial force */ |
301 | fix3 = _mm_add_ps(fix3,tx); |
302 | fiy3 = _mm_add_ps(fiy3,ty); |
303 | fiz3 = _mm_add_ps(fiz3,tz); |
304 | |
305 | fjx0 = _mm_add_ps(fjx0,tx); |
306 | fjy0 = _mm_add_ps(fjy0,ty); |
307 | fjz0 = _mm_add_ps(fjz0,tz); |
308 | |
309 | fjptrA = f+j_coord_offsetA; |
310 | fjptrB = f+j_coord_offsetB; |
311 | fjptrC = f+j_coord_offsetC; |
312 | fjptrD = f+j_coord_offsetD; |
313 | |
314 | gmx_mm_decrement_1rvec_4ptr_swizzle_ps(fjptrA,fjptrB,fjptrC,fjptrD,fjx0,fjy0,fjz0); |
315 | |
316 | /* Inner loop uses 84 flops */ |
317 | } |
318 | |
319 | if(jidx<j_index_end) |
320 | { |
321 | |
322 | /* Get j neighbor index, and coordinate index */ |
323 | jnrlistA = jjnr[jidx]; |
324 | jnrlistB = jjnr[jidx+1]; |
325 | jnrlistC = jjnr[jidx+2]; |
326 | jnrlistD = jjnr[jidx+3]; |
327 | /* Sign of each element will be negative for non-real atoms. |
328 | * This mask will be 0xFFFFFFFF for dummy entries and 0x0 for real ones, |
329 | * so use it as val = _mm_andnot_ps(mask,val) to clear dummy entries. |
330 | */ |
331 | dummy_mask = gmx_mm_castsi128_ps_mm_castsi128_ps(_mm_cmplt_epi32(_mm_loadu_si128((const __m128i *)(jjnr+jidx)),_mm_setzero_si128())); |
332 | jnrA = (jnrlistA>=0) ? jnrlistA : 0; |
333 | jnrB = (jnrlistB>=0) ? jnrlistB : 0; |
334 | jnrC = (jnrlistC>=0) ? jnrlistC : 0; |
335 | jnrD = (jnrlistD>=0) ? jnrlistD : 0; |
336 | j_coord_offsetA = DIM3*jnrA; |
337 | j_coord_offsetB = DIM3*jnrB; |
338 | j_coord_offsetC = DIM3*jnrC; |
339 | j_coord_offsetD = DIM3*jnrD; |
340 | |
341 | /* load j atom coordinates */ |
342 | gmx_mm_load_1rvec_4ptr_swizzle_ps(x+j_coord_offsetA,x+j_coord_offsetB, |
343 | x+j_coord_offsetC,x+j_coord_offsetD, |
344 | &jx0,&jy0,&jz0); |
345 | |
346 | /* Calculate displacement vector */ |
347 | dx10 = _mm_sub_ps(ix1,jx0); |
348 | dy10 = _mm_sub_ps(iy1,jy0); |
349 | dz10 = _mm_sub_ps(iz1,jz0); |
350 | dx20 = _mm_sub_ps(ix2,jx0); |
351 | dy20 = _mm_sub_ps(iy2,jy0); |
352 | dz20 = _mm_sub_ps(iz2,jz0); |
353 | dx30 = _mm_sub_ps(ix3,jx0); |
354 | dy30 = _mm_sub_ps(iy3,jy0); |
355 | dz30 = _mm_sub_ps(iz3,jz0); |
356 | |
357 | /* Calculate squared distance and things based on it */ |
358 | rsq10 = gmx_mm_calc_rsq_ps(dx10,dy10,dz10); |
359 | rsq20 = gmx_mm_calc_rsq_ps(dx20,dy20,dz20); |
360 | rsq30 = gmx_mm_calc_rsq_ps(dx30,dy30,dz30); |
361 | |
362 | rinv10 = gmx_mm_invsqrt_psgmx_simd_invsqrt_f(rsq10); |
363 | rinv20 = gmx_mm_invsqrt_psgmx_simd_invsqrt_f(rsq20); |
364 | rinv30 = gmx_mm_invsqrt_psgmx_simd_invsqrt_f(rsq30); |
365 | |
366 | rinvsq10 = _mm_mul_ps(rinv10,rinv10); |
367 | rinvsq20 = _mm_mul_ps(rinv20,rinv20); |
368 | rinvsq30 = _mm_mul_ps(rinv30,rinv30); |
369 | |
370 | /* Load parameters for j particles */ |
371 | jq0 = gmx_mm_load_4real_swizzle_ps(charge+jnrA+0,charge+jnrB+0, |
372 | charge+jnrC+0,charge+jnrD+0); |
373 | |
374 | fjx0 = _mm_setzero_ps(); |
375 | fjy0 = _mm_setzero_ps(); |
376 | fjz0 = _mm_setzero_ps(); |
377 | |
378 | /************************** |
379 | * CALCULATE INTERACTIONS * |
380 | **************************/ |
381 | |
382 | /* Compute parameters for interactions between i and j atoms */ |
383 | qq10 = _mm_mul_ps(iq1,jq0); |
384 | |
385 | /* COULOMB ELECTROSTATICS */ |
386 | velec = _mm_mul_ps(qq10,rinv10); |
387 | felec = _mm_mul_ps(velec,rinvsq10); |
388 | |
389 | /* Update potential sum for this i atom from the interaction with this j atom. */ |
390 | velec = _mm_andnot_ps(dummy_mask,velec); |
391 | velecsum = _mm_add_ps(velecsum,velec); |
392 | |
393 | fscal = felec; |
394 | |
395 | fscal = _mm_andnot_ps(dummy_mask,fscal); |
396 | |
397 | /* Calculate temporary vectorial force */ |
398 | tx = _mm_mul_ps(fscal,dx10); |
399 | ty = _mm_mul_ps(fscal,dy10); |
400 | tz = _mm_mul_ps(fscal,dz10); |
401 | |
402 | /* Update vectorial force */ |
403 | fix1 = _mm_add_ps(fix1,tx); |
404 | fiy1 = _mm_add_ps(fiy1,ty); |
405 | fiz1 = _mm_add_ps(fiz1,tz); |
406 | |
407 | fjx0 = _mm_add_ps(fjx0,tx); |
408 | fjy0 = _mm_add_ps(fjy0,ty); |
409 | fjz0 = _mm_add_ps(fjz0,tz); |
410 | |
411 | /************************** |
412 | * CALCULATE INTERACTIONS * |
413 | **************************/ |
414 | |
415 | /* Compute parameters for interactions between i and j atoms */ |
416 | qq20 = _mm_mul_ps(iq2,jq0); |
417 | |
418 | /* COULOMB ELECTROSTATICS */ |
419 | velec = _mm_mul_ps(qq20,rinv20); |
420 | felec = _mm_mul_ps(velec,rinvsq20); |
421 | |
422 | /* Update potential sum for this i atom from the interaction with this j atom. */ |
423 | velec = _mm_andnot_ps(dummy_mask,velec); |
424 | velecsum = _mm_add_ps(velecsum,velec); |
425 | |
426 | fscal = felec; |
427 | |
428 | fscal = _mm_andnot_ps(dummy_mask,fscal); |
429 | |
430 | /* Calculate temporary vectorial force */ |
431 | tx = _mm_mul_ps(fscal,dx20); |
432 | ty = _mm_mul_ps(fscal,dy20); |
433 | tz = _mm_mul_ps(fscal,dz20); |
434 | |
435 | /* Update vectorial force */ |
436 | fix2 = _mm_add_ps(fix2,tx); |
437 | fiy2 = _mm_add_ps(fiy2,ty); |
438 | fiz2 = _mm_add_ps(fiz2,tz); |
439 | |
440 | fjx0 = _mm_add_ps(fjx0,tx); |
441 | fjy0 = _mm_add_ps(fjy0,ty); |
442 | fjz0 = _mm_add_ps(fjz0,tz); |
443 | |
444 | /************************** |
445 | * CALCULATE INTERACTIONS * |
446 | **************************/ |
447 | |
448 | /* Compute parameters for interactions between i and j atoms */ |
449 | qq30 = _mm_mul_ps(iq3,jq0); |
450 | |
451 | /* COULOMB ELECTROSTATICS */ |
452 | velec = _mm_mul_ps(qq30,rinv30); |
453 | felec = _mm_mul_ps(velec,rinvsq30); |
454 | |
455 | /* Update potential sum for this i atom from the interaction with this j atom. */ |
456 | velec = _mm_andnot_ps(dummy_mask,velec); |
457 | velecsum = _mm_add_ps(velecsum,velec); |
458 | |
459 | fscal = felec; |
460 | |
461 | fscal = _mm_andnot_ps(dummy_mask,fscal); |
462 | |
463 | /* Calculate temporary vectorial force */ |
464 | tx = _mm_mul_ps(fscal,dx30); |
465 | ty = _mm_mul_ps(fscal,dy30); |
466 | tz = _mm_mul_ps(fscal,dz30); |
467 | |
468 | /* Update vectorial force */ |
469 | fix3 = _mm_add_ps(fix3,tx); |
470 | fiy3 = _mm_add_ps(fiy3,ty); |
471 | fiz3 = _mm_add_ps(fiz3,tz); |
472 | |
473 | fjx0 = _mm_add_ps(fjx0,tx); |
474 | fjy0 = _mm_add_ps(fjy0,ty); |
475 | fjz0 = _mm_add_ps(fjz0,tz); |
476 | |
477 | fjptrA = (jnrlistA>=0) ? f+j_coord_offsetA : scratch; |
478 | fjptrB = (jnrlistB>=0) ? f+j_coord_offsetB : scratch; |
479 | fjptrC = (jnrlistC>=0) ? f+j_coord_offsetC : scratch; |
480 | fjptrD = (jnrlistD>=0) ? f+j_coord_offsetD : scratch; |
481 | |
482 | gmx_mm_decrement_1rvec_4ptr_swizzle_ps(fjptrA,fjptrB,fjptrC,fjptrD,fjx0,fjy0,fjz0); |
483 | |
484 | /* Inner loop uses 84 flops */ |
485 | } |
486 | |
487 | /* End of innermost loop */ |
488 | |
489 | gmx_mm_update_iforce_3atom_swizzle_ps(fix1,fiy1,fiz1,fix2,fiy2,fiz2,fix3,fiy3,fiz3, |
490 | f+i_coord_offset+DIM3,fshift+i_shift_offset); |
491 | |
492 | ggid = gid[iidx]; |
493 | /* Update potential energies */ |
494 | gmx_mm_update_1pot_ps(velecsum,kernel_data->energygrp_elec+ggid); |
495 | |
496 | /* Increment number of inner iterations */ |
497 | inneriter += j_index_end - j_index_start; |
498 | |
499 | /* Outer loop uses 19 flops */ |
500 | } |
501 | |
502 | /* Increment number of outer iterations */ |
503 | outeriter += nri; |
504 | |
505 | /* Update outer/inner flops */ |
506 | |
507 | inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W4_VF,outeriter*19 + inneriter*84)(nrnb)->n[eNR_NBKERNEL_ELEC_W4_VF] += outeriter*19 + inneriter *84; |
508 | } |
509 | /* |
510 | * Gromacs nonbonded kernel: nb_kernel_ElecCoul_VdwNone_GeomW4P1_F_sse4_1_single |
511 | * Electrostatics interaction: Coulomb |
512 | * VdW interaction: None |
513 | * Geometry: Water4-Particle |
514 | * Calculate force/pot: Force |
515 | */ |
516 | void |
517 | nb_kernel_ElecCoul_VdwNone_GeomW4P1_F_sse4_1_single |
518 | (t_nblist * gmx_restrict nlist, |
519 | rvec * gmx_restrict xx, |
520 | rvec * gmx_restrict ff, |
521 | t_forcerec * gmx_restrict fr, |
522 | t_mdatoms * gmx_restrict mdatoms, |
523 | nb_kernel_data_t gmx_unused__attribute__ ((unused)) * gmx_restrict kernel_data, |
524 | t_nrnb * gmx_restrict nrnb) |
525 | { |
526 | /* Suffixes 0,1,2,3 refer to particle indices for waters in the inner or outer loop, or |
527 | * just 0 for non-waters. |
528 | * Suffixes A,B,C,D refer to j loop unrolling done with SSE, e.g. for the four different |
529 | * jnr indices corresponding to data put in the four positions in the SIMD register. |
530 | */ |
531 | int i_shift_offset,i_coord_offset,outeriter,inneriter; |
532 | int j_index_start,j_index_end,jidx,nri,inr,ggid,iidx; |
533 | int jnrA,jnrB,jnrC,jnrD; |
534 | int jnrlistA,jnrlistB,jnrlistC,jnrlistD; |
535 | int j_coord_offsetA,j_coord_offsetB,j_coord_offsetC,j_coord_offsetD; |
536 | int *iinr,*jindex,*jjnr,*shiftidx,*gid; |
537 | real rcutoff_scalar; |
538 | real *shiftvec,*fshift,*x,*f; |
539 | real *fjptrA,*fjptrB,*fjptrC,*fjptrD; |
540 | real scratch[4*DIM3]; |
541 | __m128 tx,ty,tz,fscal,rcutoff,rcutoff2,jidxall; |
542 | int vdwioffset1; |
543 | __m128 ix1,iy1,iz1,fix1,fiy1,fiz1,iq1,isai1; |
544 | int vdwioffset2; |
545 | __m128 ix2,iy2,iz2,fix2,fiy2,fiz2,iq2,isai2; |
546 | int vdwioffset3; |
547 | __m128 ix3,iy3,iz3,fix3,fiy3,fiz3,iq3,isai3; |
548 | int vdwjidx0A,vdwjidx0B,vdwjidx0C,vdwjidx0D; |
549 | __m128 jx0,jy0,jz0,fjx0,fjy0,fjz0,jq0,isaj0; |
550 | __m128 dx10,dy10,dz10,rsq10,rinv10,rinvsq10,r10,qq10,c6_10,c12_10; |
551 | __m128 dx20,dy20,dz20,rsq20,rinv20,rinvsq20,r20,qq20,c6_20,c12_20; |
552 | __m128 dx30,dy30,dz30,rsq30,rinv30,rinvsq30,r30,qq30,c6_30,c12_30; |
553 | __m128 velec,felec,velecsum,facel,crf,krf,krf2; |
554 | real *charge; |
555 | __m128 dummy_mask,cutoff_mask; |
556 | __m128 signbit = _mm_castsi128_ps( _mm_set1_epi32(0x80000000) ); |
557 | __m128 one = _mm_set1_ps(1.0); |
558 | __m128 two = _mm_set1_ps(2.0); |
559 | x = xx[0]; |
560 | f = ff[0]; |
561 | |
562 | nri = nlist->nri; |
563 | iinr = nlist->iinr; |
564 | jindex = nlist->jindex; |
565 | jjnr = nlist->jjnr; |
566 | shiftidx = nlist->shift; |
567 | gid = nlist->gid; |
568 | shiftvec = fr->shift_vec[0]; |
569 | fshift = fr->fshift[0]; |
570 | facel = _mm_set1_ps(fr->epsfac); |
571 | charge = mdatoms->chargeA; |
572 | |
573 | /* Setup water-specific parameters */ |
574 | inr = nlist->iinr[0]; |
575 | iq1 = _mm_mul_ps(facel,_mm_set1_ps(charge[inr+1])); |
576 | iq2 = _mm_mul_ps(facel,_mm_set1_ps(charge[inr+2])); |
577 | iq3 = _mm_mul_ps(facel,_mm_set1_ps(charge[inr+3])); |
578 | |
579 | /* Avoid stupid compiler warnings */ |
580 | jnrA = jnrB = jnrC = jnrD = 0; |
581 | j_coord_offsetA = 0; |
582 | j_coord_offsetB = 0; |
583 | j_coord_offsetC = 0; |
584 | j_coord_offsetD = 0; |
585 | |
586 | outeriter = 0; |
587 | inneriter = 0; |
588 | |
589 | for(iidx=0;iidx<4*DIM3;iidx++) |
590 | { |
591 | scratch[iidx] = 0.0; |
592 | } |
593 | |
594 | /* Start outer loop over neighborlists */ |
595 | for(iidx=0; iidx<nri; iidx++) |
596 | { |
597 | /* Load shift vector for this list */ |
598 | i_shift_offset = DIM3*shiftidx[iidx]; |
599 | |
600 | /* Load limits for loop over neighbors */ |
601 | j_index_start = jindex[iidx]; |
602 | j_index_end = jindex[iidx+1]; |
603 | |
604 | /* Get outer coordinate index */ |
605 | inr = iinr[iidx]; |
606 | i_coord_offset = DIM3*inr; |
607 | |
608 | /* Load i particle coords and add shift vector */ |
609 | gmx_mm_load_shift_and_3rvec_broadcast_ps(shiftvec+i_shift_offset,x+i_coord_offset+DIM3, |
610 | &ix1,&iy1,&iz1,&ix2,&iy2,&iz2,&ix3,&iy3,&iz3); |
611 | |
612 | fix1 = _mm_setzero_ps(); |
613 | fiy1 = _mm_setzero_ps(); |
614 | fiz1 = _mm_setzero_ps(); |
615 | fix2 = _mm_setzero_ps(); |
616 | fiy2 = _mm_setzero_ps(); |
617 | fiz2 = _mm_setzero_ps(); |
618 | fix3 = _mm_setzero_ps(); |
619 | fiy3 = _mm_setzero_ps(); |
620 | fiz3 = _mm_setzero_ps(); |
621 | |
622 | /* Start inner kernel loop */ |
623 | for(jidx=j_index_start; jidx<j_index_end && jjnr[jidx+3]>=0; jidx+=4) |
624 | { |
625 | |
626 | /* Get j neighbor index, and coordinate index */ |
627 | jnrA = jjnr[jidx]; |
628 | jnrB = jjnr[jidx+1]; |
629 | jnrC = jjnr[jidx+2]; |
630 | jnrD = jjnr[jidx+3]; |
631 | j_coord_offsetA = DIM3*jnrA; |
632 | j_coord_offsetB = DIM3*jnrB; |
633 | j_coord_offsetC = DIM3*jnrC; |
634 | j_coord_offsetD = DIM3*jnrD; |
635 | |
636 | /* load j atom coordinates */ |
637 | gmx_mm_load_1rvec_4ptr_swizzle_ps(x+j_coord_offsetA,x+j_coord_offsetB, |
638 | x+j_coord_offsetC,x+j_coord_offsetD, |
639 | &jx0,&jy0,&jz0); |
640 | |
641 | /* Calculate displacement vector */ |
642 | dx10 = _mm_sub_ps(ix1,jx0); |
643 | dy10 = _mm_sub_ps(iy1,jy0); |
644 | dz10 = _mm_sub_ps(iz1,jz0); |
645 | dx20 = _mm_sub_ps(ix2,jx0); |
646 | dy20 = _mm_sub_ps(iy2,jy0); |
647 | dz20 = _mm_sub_ps(iz2,jz0); |
648 | dx30 = _mm_sub_ps(ix3,jx0); |
649 | dy30 = _mm_sub_ps(iy3,jy0); |
650 | dz30 = _mm_sub_ps(iz3,jz0); |
651 | |
652 | /* Calculate squared distance and things based on it */ |
653 | rsq10 = gmx_mm_calc_rsq_ps(dx10,dy10,dz10); |
654 | rsq20 = gmx_mm_calc_rsq_ps(dx20,dy20,dz20); |
655 | rsq30 = gmx_mm_calc_rsq_ps(dx30,dy30,dz30); |
656 | |
657 | rinv10 = gmx_mm_invsqrt_psgmx_simd_invsqrt_f(rsq10); |
658 | rinv20 = gmx_mm_invsqrt_psgmx_simd_invsqrt_f(rsq20); |
659 | rinv30 = gmx_mm_invsqrt_psgmx_simd_invsqrt_f(rsq30); |
660 | |
661 | rinvsq10 = _mm_mul_ps(rinv10,rinv10); |
662 | rinvsq20 = _mm_mul_ps(rinv20,rinv20); |
663 | rinvsq30 = _mm_mul_ps(rinv30,rinv30); |
664 | |
665 | /* Load parameters for j particles */ |
666 | jq0 = gmx_mm_load_4real_swizzle_ps(charge+jnrA+0,charge+jnrB+0, |
667 | charge+jnrC+0,charge+jnrD+0); |
668 | |
669 | fjx0 = _mm_setzero_ps(); |
670 | fjy0 = _mm_setzero_ps(); |
671 | fjz0 = _mm_setzero_ps(); |
672 | |
673 | /************************** |
674 | * CALCULATE INTERACTIONS * |
675 | **************************/ |
676 | |
677 | /* Compute parameters for interactions between i and j atoms */ |
678 | qq10 = _mm_mul_ps(iq1,jq0); |
679 | |
680 | /* COULOMB ELECTROSTATICS */ |
681 | velec = _mm_mul_ps(qq10,rinv10); |
682 | felec = _mm_mul_ps(velec,rinvsq10); |
683 | |
684 | fscal = felec; |
685 | |
686 | /* Calculate temporary vectorial force */ |
687 | tx = _mm_mul_ps(fscal,dx10); |
688 | ty = _mm_mul_ps(fscal,dy10); |
689 | tz = _mm_mul_ps(fscal,dz10); |
690 | |
691 | /* Update vectorial force */ |
692 | fix1 = _mm_add_ps(fix1,tx); |
693 | fiy1 = _mm_add_ps(fiy1,ty); |
694 | fiz1 = _mm_add_ps(fiz1,tz); |
695 | |
696 | fjx0 = _mm_add_ps(fjx0,tx); |
697 | fjy0 = _mm_add_ps(fjy0,ty); |
698 | fjz0 = _mm_add_ps(fjz0,tz); |
699 | |
700 | /************************** |
701 | * CALCULATE INTERACTIONS * |
702 | **************************/ |
703 | |
704 | /* Compute parameters for interactions between i and j atoms */ |
705 | qq20 = _mm_mul_ps(iq2,jq0); |
706 | |
707 | /* COULOMB ELECTROSTATICS */ |
708 | velec = _mm_mul_ps(qq20,rinv20); |
709 | felec = _mm_mul_ps(velec,rinvsq20); |
710 | |
711 | fscal = felec; |
712 | |
713 | /* Calculate temporary vectorial force */ |
714 | tx = _mm_mul_ps(fscal,dx20); |
715 | ty = _mm_mul_ps(fscal,dy20); |
716 | tz = _mm_mul_ps(fscal,dz20); |
717 | |
718 | /* Update vectorial force */ |
719 | fix2 = _mm_add_ps(fix2,tx); |
720 | fiy2 = _mm_add_ps(fiy2,ty); |
721 | fiz2 = _mm_add_ps(fiz2,tz); |
722 | |
723 | fjx0 = _mm_add_ps(fjx0,tx); |
724 | fjy0 = _mm_add_ps(fjy0,ty); |
725 | fjz0 = _mm_add_ps(fjz0,tz); |
726 | |
727 | /************************** |
728 | * CALCULATE INTERACTIONS * |
729 | **************************/ |
730 | |
731 | /* Compute parameters for interactions between i and j atoms */ |
732 | qq30 = _mm_mul_ps(iq3,jq0); |
733 | |
734 | /* COULOMB ELECTROSTATICS */ |
735 | velec = _mm_mul_ps(qq30,rinv30); |
736 | felec = _mm_mul_ps(velec,rinvsq30); |
737 | |
738 | fscal = felec; |
739 | |
740 | /* Calculate temporary vectorial force */ |
741 | tx = _mm_mul_ps(fscal,dx30); |
742 | ty = _mm_mul_ps(fscal,dy30); |
743 | tz = _mm_mul_ps(fscal,dz30); |
744 | |
745 | /* Update vectorial force */ |
746 | fix3 = _mm_add_ps(fix3,tx); |
747 | fiy3 = _mm_add_ps(fiy3,ty); |
748 | fiz3 = _mm_add_ps(fiz3,tz); |
749 | |
750 | fjx0 = _mm_add_ps(fjx0,tx); |
751 | fjy0 = _mm_add_ps(fjy0,ty); |
752 | fjz0 = _mm_add_ps(fjz0,tz); |
753 | |
754 | fjptrA = f+j_coord_offsetA; |
755 | fjptrB = f+j_coord_offsetB; |
756 | fjptrC = f+j_coord_offsetC; |
757 | fjptrD = f+j_coord_offsetD; |
758 | |
759 | gmx_mm_decrement_1rvec_4ptr_swizzle_ps(fjptrA,fjptrB,fjptrC,fjptrD,fjx0,fjy0,fjz0); |
760 | |
761 | /* Inner loop uses 81 flops */ |
762 | } |
763 | |
764 | if(jidx<j_index_end) |
765 | { |
766 | |
767 | /* Get j neighbor index, and coordinate index */ |
768 | jnrlistA = jjnr[jidx]; |
769 | jnrlistB = jjnr[jidx+1]; |
770 | jnrlistC = jjnr[jidx+2]; |
771 | jnrlistD = jjnr[jidx+3]; |
772 | /* Sign of each element will be negative for non-real atoms. |
773 | * This mask will be 0xFFFFFFFF for dummy entries and 0x0 for real ones, |
774 | * so use it as val = _mm_andnot_ps(mask,val) to clear dummy entries. |
775 | */ |
776 | dummy_mask = gmx_mm_castsi128_ps_mm_castsi128_ps(_mm_cmplt_epi32(_mm_loadu_si128((const __m128i *)(jjnr+jidx)),_mm_setzero_si128())); |
777 | jnrA = (jnrlistA>=0) ? jnrlistA : 0; |
778 | jnrB = (jnrlistB>=0) ? jnrlistB : 0; |
779 | jnrC = (jnrlistC>=0) ? jnrlistC : 0; |
780 | jnrD = (jnrlistD>=0) ? jnrlistD : 0; |
781 | j_coord_offsetA = DIM3*jnrA; |
782 | j_coord_offsetB = DIM3*jnrB; |
783 | j_coord_offsetC = DIM3*jnrC; |
784 | j_coord_offsetD = DIM3*jnrD; |
785 | |
786 | /* load j atom coordinates */ |
787 | gmx_mm_load_1rvec_4ptr_swizzle_ps(x+j_coord_offsetA,x+j_coord_offsetB, |
788 | x+j_coord_offsetC,x+j_coord_offsetD, |
789 | &jx0,&jy0,&jz0); |
790 | |
791 | /* Calculate displacement vector */ |
792 | dx10 = _mm_sub_ps(ix1,jx0); |
793 | dy10 = _mm_sub_ps(iy1,jy0); |
794 | dz10 = _mm_sub_ps(iz1,jz0); |
795 | dx20 = _mm_sub_ps(ix2,jx0); |
796 | dy20 = _mm_sub_ps(iy2,jy0); |
797 | dz20 = _mm_sub_ps(iz2,jz0); |
798 | dx30 = _mm_sub_ps(ix3,jx0); |
799 | dy30 = _mm_sub_ps(iy3,jy0); |
800 | dz30 = _mm_sub_ps(iz3,jz0); |
801 | |
802 | /* Calculate squared distance and things based on it */ |
803 | rsq10 = gmx_mm_calc_rsq_ps(dx10,dy10,dz10); |
804 | rsq20 = gmx_mm_calc_rsq_ps(dx20,dy20,dz20); |
805 | rsq30 = gmx_mm_calc_rsq_ps(dx30,dy30,dz30); |
806 | |
807 | rinv10 = gmx_mm_invsqrt_psgmx_simd_invsqrt_f(rsq10); |
808 | rinv20 = gmx_mm_invsqrt_psgmx_simd_invsqrt_f(rsq20); |
809 | rinv30 = gmx_mm_invsqrt_psgmx_simd_invsqrt_f(rsq30); |
810 | |
811 | rinvsq10 = _mm_mul_ps(rinv10,rinv10); |
812 | rinvsq20 = _mm_mul_ps(rinv20,rinv20); |
813 | rinvsq30 = _mm_mul_ps(rinv30,rinv30); |
814 | |
815 | /* Load parameters for j particles */ |
816 | jq0 = gmx_mm_load_4real_swizzle_ps(charge+jnrA+0,charge+jnrB+0, |
817 | charge+jnrC+0,charge+jnrD+0); |
818 | |
819 | fjx0 = _mm_setzero_ps(); |
820 | fjy0 = _mm_setzero_ps(); |
821 | fjz0 = _mm_setzero_ps(); |
822 | |
823 | /************************** |
824 | * CALCULATE INTERACTIONS * |
825 | **************************/ |
826 | |
827 | /* Compute parameters for interactions between i and j atoms */ |
828 | qq10 = _mm_mul_ps(iq1,jq0); |
829 | |
830 | /* COULOMB ELECTROSTATICS */ |
831 | velec = _mm_mul_ps(qq10,rinv10); |
832 | felec = _mm_mul_ps(velec,rinvsq10); |
833 | |
834 | fscal = felec; |
835 | |
836 | fscal = _mm_andnot_ps(dummy_mask,fscal); |
837 | |
838 | /* Calculate temporary vectorial force */ |
839 | tx = _mm_mul_ps(fscal,dx10); |
840 | ty = _mm_mul_ps(fscal,dy10); |
841 | tz = _mm_mul_ps(fscal,dz10); |
842 | |
843 | /* Update vectorial force */ |
844 | fix1 = _mm_add_ps(fix1,tx); |
845 | fiy1 = _mm_add_ps(fiy1,ty); |
846 | fiz1 = _mm_add_ps(fiz1,tz); |
847 | |
848 | fjx0 = _mm_add_ps(fjx0,tx); |
849 | fjy0 = _mm_add_ps(fjy0,ty); |
850 | fjz0 = _mm_add_ps(fjz0,tz); |
851 | |
852 | /************************** |
853 | * CALCULATE INTERACTIONS * |
854 | **************************/ |
855 | |
856 | /* Compute parameters for interactions between i and j atoms */ |
857 | qq20 = _mm_mul_ps(iq2,jq0); |
858 | |
859 | /* COULOMB ELECTROSTATICS */ |
860 | velec = _mm_mul_ps(qq20,rinv20); |
861 | felec = _mm_mul_ps(velec,rinvsq20); |
862 | |
863 | fscal = felec; |
864 | |
865 | fscal = _mm_andnot_ps(dummy_mask,fscal); |
866 | |
867 | /* Calculate temporary vectorial force */ |
868 | tx = _mm_mul_ps(fscal,dx20); |
869 | ty = _mm_mul_ps(fscal,dy20); |
870 | tz = _mm_mul_ps(fscal,dz20); |
871 | |
872 | /* Update vectorial force */ |
873 | fix2 = _mm_add_ps(fix2,tx); |
874 | fiy2 = _mm_add_ps(fiy2,ty); |
875 | fiz2 = _mm_add_ps(fiz2,tz); |
876 | |
877 | fjx0 = _mm_add_ps(fjx0,tx); |
878 | fjy0 = _mm_add_ps(fjy0,ty); |
879 | fjz0 = _mm_add_ps(fjz0,tz); |
880 | |
881 | /************************** |
882 | * CALCULATE INTERACTIONS * |
883 | **************************/ |
884 | |
885 | /* Compute parameters for interactions between i and j atoms */ |
886 | qq30 = _mm_mul_ps(iq3,jq0); |
887 | |
888 | /* COULOMB ELECTROSTATICS */ |
889 | velec = _mm_mul_ps(qq30,rinv30); |
890 | felec = _mm_mul_ps(velec,rinvsq30); |
891 | |
892 | fscal = felec; |
893 | |
894 | fscal = _mm_andnot_ps(dummy_mask,fscal); |
895 | |
896 | /* Calculate temporary vectorial force */ |
897 | tx = _mm_mul_ps(fscal,dx30); |
898 | ty = _mm_mul_ps(fscal,dy30); |
899 | tz = _mm_mul_ps(fscal,dz30); |
900 | |
901 | /* Update vectorial force */ |
902 | fix3 = _mm_add_ps(fix3,tx); |
903 | fiy3 = _mm_add_ps(fiy3,ty); |
904 | fiz3 = _mm_add_ps(fiz3,tz); |
905 | |
906 | fjx0 = _mm_add_ps(fjx0,tx); |
907 | fjy0 = _mm_add_ps(fjy0,ty); |
908 | fjz0 = _mm_add_ps(fjz0,tz); |
909 | |
910 | fjptrA = (jnrlistA>=0) ? f+j_coord_offsetA : scratch; |
911 | fjptrB = (jnrlistB>=0) ? f+j_coord_offsetB : scratch; |
912 | fjptrC = (jnrlistC>=0) ? f+j_coord_offsetC : scratch; |
913 | fjptrD = (jnrlistD>=0) ? f+j_coord_offsetD : scratch; |
914 | |
915 | gmx_mm_decrement_1rvec_4ptr_swizzle_ps(fjptrA,fjptrB,fjptrC,fjptrD,fjx0,fjy0,fjz0); |
916 | |
917 | /* Inner loop uses 81 flops */ |
918 | } |
919 | |
920 | /* End of innermost loop */ |
921 | |
922 | gmx_mm_update_iforce_3atom_swizzle_ps(fix1,fiy1,fiz1,fix2,fiy2,fiz2,fix3,fiy3,fiz3, |
923 | f+i_coord_offset+DIM3,fshift+i_shift_offset); |
924 | |
925 | /* Increment number of inner iterations */ |
926 | inneriter += j_index_end - j_index_start; |
927 | |
928 | /* Outer loop uses 18 flops */ |
929 | } |
930 | |
931 | /* Increment number of outer iterations */ |
932 | outeriter += nri; |
933 | |
934 | /* Update outer/inner flops */ |
935 | |
936 | inc_nrnb(nrnb,eNR_NBKERNEL_ELEC_W4_F,outeriter*18 + inneriter*81)(nrnb)->n[eNR_NBKERNEL_ELEC_W4_F] += outeriter*18 + inneriter *81; |
937 | } |