//this basically transforms 2 coordinates in 1 call
bool TileProjection::GeoToPixel(const BatchTransformer& transformData) const
{
v2df x = _mm_sub_pd(_mm_mul_pd( ARRAY2V2DF(transformData.lon), sse2ScaleGradtorad), sse2LonOffset);
__m128d test = ARRAY2V2DF(transformData.lat);
v2df y = _mm_sub_pd(sse2Height, _mm_sub_pd(_mm_mul_pd(sse2Scale, atanh_sin_pd( _mm_mul_pd( test, ARRAY2V2DF(sseGradtorad)))), sse2LatOffset));
//store results:
_mm_storel_pd (transformData.xPointer[0], x);
_mm_storeh_pd (transformData.xPointer[1], x);
_mm_storel_pd (transformData.yPointer[0], y);
_mm_storeh_pd (transformData.yPointer[1], y);
return true;
}
void test_mm_storel_pd(double* A, __m128d B) {
// DAG-LABEL: test_mm_storel_pd
// DAG: store double %{{.*}}, double* %{{.*}}, align 1
//
// ASM-LABEL: test_mm_storel_pd
// ASM: movsd
_mm_storel_pd(A, B);
}
double HodgkinHuxley::dV(double *V, double I) {
const double C = 1.0;
const double gNa = 120.0;
const double gK = 36.0;
const double gL = 0.3;
const double ENa = 50.0;
const double EK = -77.0;
const double EL = -54.4;
#ifdef __AVX__
/*
AVX is an instruction set from Intel which allows simultaneous operation
on 4 doubles. Seems to be slower than optimized FPU, though.
*/
double Va[] __attribute__ ((aligned (32))) = {V[0], V[0], V[0], 1.0},
Ea[] __attribute__ ((aligned (32))) = {EL, ENa, EK, 0.0},
Ga[] __attribute__ ((aligned (32))) = {-gL, -gNa * pow(V[2], 3.0) * V[3], -gK * pow(V[1], 4.0), I};
// load V
__m256d Vr = _mm256_load_pd(Va);
// load E
__m256d Er = _mm256_load_pd(Ea);
// load G
__m256d Gr = _mm256_load_pd(Ga);
// subtract
Vr = _mm256_sub_pd(Vr, Er);
// dot product (why does intel not have _mm256_dp_pd ?)
Vr = _mm256_mul_pd(Vr, Gr);
__m256d temp = _mm256_hadd_pd(Vr, Vr);
__m128d lo128 = _mm256_extractf128_pd(temp, 0);
__m128d hi128 = _mm256_extractf128_pd(temp, 1);
__m128d dotproduct = _mm_add_pd(lo128, hi128);
double sseVal;
// store
_mm_storel_pd(&sseVal, dotproduct);
sseVal /= C;
return sseVal;
#else
return (-gL * (V[0] - EL) - gNa * pow(V[2], 3.0) * V[3] * (V[0] - ENa)
- gK * pow(V[1], 4.0) * (V[0] - EK) + I) / C;
#endif
}
static double vecsum(const double *buf, int num_doubles)
{
int i;
double hi, lo;
__m128d x0, x1, x2, x3, x4, x5, x6, x7;
__m128d sum0 = _mm_set_pd(0.0,0.0);
__m128d sum1 = _mm_set_pd(0.0,0.0);
__m128d sum2 = _mm_set_pd(0.0,0.0);
__m128d sum3 = _mm_set_pd(0.0,0.0);
__m128d sum4 = _mm_set_pd(0.0,0.0);
__m128d sum5 = _mm_set_pd(0.0,0.0);
__m128d sum6 = _mm_set_pd(0.0,0.0);
__m128d sum7 = _mm_set_pd(0.0,0.0);
for (i = 0; i < num_doubles; i+=DOUBLES_PER_LOOP_ITER) {
x0 = _mm_load_pd(buf + i + 0);
x1 = _mm_load_pd(buf + i + 2);
x2 = _mm_load_pd(buf + i + 4);
x3 = _mm_load_pd(buf + i + 6);
x4 = _mm_load_pd(buf + i + 8);
x5 = _mm_load_pd(buf + i + 10);
x6 = _mm_load_pd(buf + i + 12);
x7 = _mm_load_pd(buf + i + 14);
sum0 = _mm_add_pd(sum0, x0);
sum1 = _mm_add_pd(sum1, x1);
sum2 = _mm_add_pd(sum2, x2);
sum3 = _mm_add_pd(sum3, x3);
sum4 = _mm_add_pd(sum4, x4);
sum5 = _mm_add_pd(sum5, x5);
sum6 = _mm_add_pd(sum6, x6);
sum7 = _mm_add_pd(sum7, x7);
}
x0 = _mm_add_pd(sum0, sum1);
x1 = _mm_add_pd(sum2, sum3);
x2 = _mm_add_pd(sum4, sum5);
x3 = _mm_add_pd(sum6, sum7);
x4 = _mm_add_pd(x0, x1);
x5 = _mm_add_pd(x2, x3);
x6 = _mm_add_pd(x4, x5);
_mm_storeh_pd(&hi, x6);
_mm_storel_pd(&lo, x6);
return hi + lo;
}
static double evaluateGTRCATPROT (int *cptr, int *wptr,
double *x1, double *x2, double *tipVector,
unsigned char *tipX1, int n, double *diagptable_start)
{
double sum = 0.0, term;
double *diagptable, *left, *right;
int i, l;
if(tipX1)
{
for (i = 0; i < n; i++)
{
left = &(tipVector[20 * tipX1[i]]);
right = &(x2[20 * i]);
diagptable = &diagptable_start[20 * cptr[i]];
__m128d tv = _mm_setzero_pd();
for(l = 0; l < 20; l+=2)
{
__m128d lv = _mm_load_pd(&left[l]);
__m128d rv = _mm_load_pd(&right[l]);
__m128d mul = _mm_mul_pd(lv, rv);
__m128d dv = _mm_load_pd(&diagptable[l]);
tv = _mm_add_pd(tv, _mm_mul_pd(mul, dv));
}
tv = _mm_hadd_pd(tv, tv);
_mm_storel_pd(&term, tv);
term = LOG(FABS(term));
sum += wptr[i] * term;
}
}
else
{
for (i = 0; i < n; i++)
{
left = &x1[20 * i];
right = &x2[20 * i];
diagptable = &diagptable_start[20 * cptr[i]];
__m128d tv = _mm_setzero_pd();
for(l = 0; l < 20; l+=2)
{
__m128d lv = _mm_load_pd(&left[l]);
__m128d rv = _mm_load_pd(&right[l]);
__m128d mul = _mm_mul_pd(lv, rv);
__m128d dv = _mm_load_pd(&diagptable[l]);
tv = _mm_add_pd(tv, _mm_mul_pd(mul, dv));
}
tv = _mm_hadd_pd(tv, tv);
_mm_storel_pd(&term, tv);
term = LOG(FABS(term));
sum += wptr[i] * term;
}
}
return sum;
}
static double evaluateGTRGAMMAPROT (int *wptr,
double *x1, double *x2,
double *tipVector,
unsigned char *tipX1, int n, double *diagptable)
{
double sum = 0.0, term;
int i, j, l;
double *left, *right;
if(tipX1)
{
for (i = 0; i < n; i++)
{
__m128d tv = _mm_setzero_pd();
left = &(tipVector[20 * tipX1[i]]);
for(j = 0, term = 0.0; j < 4; j++)
{
double *d = &diagptable[j * 20];
right = &(x2[80 * i + 20 * j]);
for(l = 0; l < 20; l+=2)
{
__m128d mul = _mm_mul_pd(_mm_load_pd(&left[l]), _mm_load_pd(&right[l]));
tv = _mm_add_pd(tv, _mm_mul_pd(mul, _mm_load_pd(&d[l])));
}
}
tv = _mm_hadd_pd(tv, tv);
_mm_storel_pd(&term, tv);
term = LOG(0.25 * FABS(term));
sum += wptr[i] * term;
}
}
else
{
for (i = 0; i < n; i++)
{
__m128d tv = _mm_setzero_pd();
for(j = 0, term = 0.0; j < 4; j++)
{
double *d = &diagptable[j * 20];
left = &(x1[80 * i + 20 * j]);
right = &(x2[80 * i + 20 * j]);
for(l = 0; l < 20; l+=2)
{
__m128d mul = _mm_mul_pd(_mm_load_pd(&left[l]), _mm_load_pd(&right[l]));
tv = _mm_add_pd(tv, _mm_mul_pd(mul, _mm_load_pd(&d[l])));
}
}
tv = _mm_hadd_pd(tv, tv);
_mm_storel_pd(&term, tv);
term = LOG(0.25 * FABS(term));
sum += wptr[i] * term;
}
}
return sum;
}
static double evaluateGTRGAMMAPROT_GAPPED_SAVE (int *wptr,
double *x1, double *x2,
double *tipVector,
unsigned char *tipX1, int n, double *diagptable,
double *x1_gapColumn, double *x2_gapColumn, unsigned int *x1_gap, unsigned int *x2_gap)
{
double sum = 0.0, term;
int i, j, l;
double
*left,
*right,
*x1_ptr = x1,
*x2_ptr = x2,
*x1v,
*x2v;
if(tipX1)
{
for (i = 0; i < n; i++)
{
if(x2_gap[i / 32] & mask32[i % 32])
x2v = x2_gapColumn;
else
{
x2v = x2_ptr;
x2_ptr += 80;
}
__m128d tv = _mm_setzero_pd();
left = &(tipVector[20 * tipX1[i]]);
for(j = 0, term = 0.0; j < 4; j++)
{
double *d = &diagptable[j * 20];
right = &(x2v[20 * j]);
for(l = 0; l < 20; l+=2)
{
__m128d mul = _mm_mul_pd(_mm_load_pd(&left[l]), _mm_load_pd(&right[l]));
tv = _mm_add_pd(tv, _mm_mul_pd(mul, _mm_load_pd(&d[l])));
}
}
tv = _mm_hadd_pd(tv, tv);
_mm_storel_pd(&term, tv);
term = LOG(0.25 * FABS(term));
sum += wptr[i] * term;
}
}
else
{
for (i = 0; i < n; i++)
{
if(x1_gap[i / 32] & mask32[i % 32])
x1v = x1_gapColumn;
else
{
x1v = x1_ptr;
x1_ptr += 80;
}
if(x2_gap[i / 32] & mask32[i % 32])
x2v = x2_gapColumn;
else
{
x2v = x2_ptr;
x2_ptr += 80;
}
__m128d tv = _mm_setzero_pd();
for(j = 0, term = 0.0; j < 4; j++)
{
double *d = &diagptable[j * 20];
left = &(x1v[20 * j]);
right = &(x2v[20 * j]);
for(l = 0; l < 20; l+=2)
{
__m128d mul = _mm_mul_pd(_mm_load_pd(&left[l]), _mm_load_pd(&right[l]));
tv = _mm_add_pd(tv, _mm_mul_pd(mul, _mm_load_pd(&d[l])));
}
}
tv = _mm_hadd_pd(tv, tv);
_mm_storel_pd(&term, tv);
term = LOG(0.25 * FABS(term));
sum += wptr[i] * term;
}
}
return sum;
}
static double evaluateGTRCATPROT_SAVE (int *cptr, int *wptr,
double *x1, double *x2, double *tipVector,
unsigned char *tipX1, int n, double *diagptable_start,
double *x1_gapColumn, double *x2_gapColumn, unsigned int *x1_gap, unsigned int *x2_gap)
{
double
sum = 0.0,
term,
*diagptable,
*left,
*right,
*left_ptr = x1,
*right_ptr = x2;
int
i,
l;
if(tipX1)
{
for (i = 0; i < n; i++)
{
left = &(tipVector[20 * tipX1[i]]);
if(isGap(x2_gap, i))
right = x2_gapColumn;
else
{
right = right_ptr;
right_ptr += 20;
}
diagptable = &diagptable_start[20 * cptr[i]];
__m128d tv = _mm_setzero_pd();
for(l = 0; l < 20; l+=2)
{
__m128d lv = _mm_load_pd(&left[l]);
__m128d rv = _mm_load_pd(&right[l]);
__m128d mul = _mm_mul_pd(lv, rv);
__m128d dv = _mm_load_pd(&diagptable[l]);
tv = _mm_add_pd(tv, _mm_mul_pd(mul, dv));
}
tv = _mm_hadd_pd(tv, tv);
_mm_storel_pd(&term, tv);
term = LOG(FABS(term));
sum += wptr[i] * term;
}
}
else
{
for (i = 0; i < n; i++)
{
if(isGap(x1_gap, i))
left = x1_gapColumn;
else
{
left = left_ptr;
left_ptr += 20;
}
if(isGap(x2_gap, i))
right = x2_gapColumn;
else
{
right = right_ptr;
right_ptr += 20;
}
diagptable = &diagptable_start[20 * cptr[i]];
__m128d tv = _mm_setzero_pd();
for(l = 0; l < 20; l+=2)
{
__m128d lv = _mm_load_pd(&left[l]);
__m128d rv = _mm_load_pd(&right[l]);
__m128d mul = _mm_mul_pd(lv, rv);
__m128d dv = _mm_load_pd(&diagptable[l]);
tv = _mm_add_pd(tv, _mm_mul_pd(mul, dv));
}
tv = _mm_hadd_pd(tv, tv);
_mm_storel_pd(&term, tv);
term = LOG(FABS(term));
sum += wptr[i] * term;
}
}
return sum;
}
static double evaluateGTRGAMMAPROT (int *ex1, int *ex2, int *wptr,
double *x1, double *x2,
double *tipVector,
unsigned char *tipX1, int n, double *diagptable, const boolean fastScaling)
{
double sum = 0.0, term;
int i, j, l;
double *left, *right;
assertionError = 0;
if(tipX1)
{
for (i = 0; i < n; i++)
{
__m128d tv = _mm_setzero_pd();
left = &(tipVector[20 * tipX1[i]]);
for(j = 0, term = 0.0; j < 4; j++)
{
double *d = &diagptable[j * 20];
right = &(x2[80 * i + 20 * j]);
for(l = 0; l < 20; l+=2)
{
__m128d mul = _mm_mul_pd(_mm_load_pd(&left[l]), _mm_load_pd(&right[l]));
tv = _mm_add_pd(tv, _mm_mul_pd(mul, _mm_load_pd(&d[l])));
}
}
tv = _mm_hadd_pd(tv, tv);
_mm_storel_pd(&term, tv);
// [JH] sometimes term contains -0.0000.... which causes the log to become NaN
if(term < 0.0) {
assertionError = 1;
problemCount++;
printf("tipX1 i=%d, term=%E\n", i, term);
term = fabs(term);
}
if(fastScaling)
term = LOG(0.25 * term);
else
term = LOG(0.25 * term) + (ex2[i] * LOG(minlikelihood));
sum += wptr[i] * term;
}
}
else
{
for (i = 0; i < n; i++)
{
__m128d tv = _mm_setzero_pd();
for(j = 0, term = 0.0; j < 4; j++)
{
double *d = &diagptable[j * 20];
left = &(x1[80 * i + 20 * j]);
right = &(x2[80 * i + 20 * j]);
for(l = 0; l < 20; l+=2)
{
__m128d mul = _mm_mul_pd(_mm_load_pd(&left[l]), _mm_load_pd(&right[l]));
tv = _mm_add_pd(tv, _mm_mul_pd(mul, _mm_load_pd(&d[l])));
}
}
tv = _mm_hadd_pd(tv, tv);
_mm_storel_pd(&term, tv);
// [JH] sometimes term contains -0.0000.... which causes the log to become NaN
if(term < 0.0) {
assertionError = 1;
problemCount++;
printf("nontip term=%E\n", term);
term = fabs(term);
}
if(fastScaling)
term = LOG(0.25 * term);
else
term = LOG(0.25 * term) + ((ex1[i] + ex2[i])*LOG(minlikelihood));
sum += wptr[i] * term;
}
}
return sum;
}
test (double *e, __m128d a)
{
return _mm_storel_pd (e, a);
}
static inline __m128d
my_invrsq_pd(__m128d x)
{
const __m128d three = (const __m128d) {3.0f, 3.0f};
const __m128d half = (const __m128d) {0.5f, 0.5f};
__m128 t = _mm_rsqrt_ps(_mm_cvtpd_ps(x)); /* Convert to single precision and do _mm_rsqrt_ps() */
__m128d t1 = _mm_cvtps_pd(t); /* Convert back to double precision */
/* First Newton-Rapson step, accuracy is now 24 bits */
__m128d t2 = _mm_mul_pd(half,_mm_mul_pd(t1,_mm_sub_pd(three,_mm_mul_pd(x,_mm_mul_pd(t1,t1)))));
/* Return second Newton-Rapson step, accuracy 48 bits */
return (__m128d) _mm_mul_pd(half,_mm_mul_pd(t2,_mm_sub_pd(three,_mm_mul_pd(x,_mm_mul_pd(t2,t2)))));
}
/* to extract single integers from a __m128i datatype */
#define _mm_extract_epi64(x, imm) \
_mm_cvtsi128_si32(_mm_srli_si128((x), 4 * (imm)))
void nb_kernel400_x86_64_sse2(int * p_nri,
int * iinr,
int * jindex,
int * jjnr,
int * shift,
double * shiftvec,
double * fshift,
int * gid,
double * pos,
double * faction,
double * charge,
double * p_facel,
double * p_krf,
double * p_crf,
double * Vc,
int * type,
int * p_ntype,
double * vdwparam,
double * Vvdw,
double * p_tabscale,
double * VFtab,
double * invsqrta,
double * dvda,
double * p_gbtabscale,
double * GBtab,
int * p_nthreads,
int * count,
void * mtx,
int * outeriter,
int * inneriter,
double * work)
{
int nri,ntype,nthreads,offset;
int n,ii,is3,ii3,k,nj0,nj1,jnr1,jnr2,j13,j23,ggid;
double facel,krf,crf,tabscl,gbtabscl,vct,vgbt;
double shX,shY,shZ,isai_d,dva;
gmx_gbdata_t *gbdata;
float * gpol;
__m128d ix,iy,iz,jx,jy,jz;
__m128d dx,dy,dz,t1,t2,t3;
__m128d fix,fiy,fiz,rsq11,rinv,r,fscal,rt,eps,eps2;
__m128d q,iq,qq,isai,isaj,isaprod,vcoul,gbscale,dvdai,dvdaj;
__m128d Y,F,G,H,Fp,VV,FF,vgb,fijC,dvdatmp,dvdasum,vctot,vgbtot,n0d;
__m128d xmm0,xmm1,xmm2,xmm3,xmm4,xmm5,xmm6,xmm7,xmm8;
__m128d fac,tabscale,gbtabscale;
__m128i n0,nnn;
const __m128d neg = {-1.0f,-1.0f};
const __m128d zero = {0.0f,0.0f};
const __m128d half = {0.5f,0.5f};
const __m128d two = {2.0f,2.0f};
const __m128d three = {3.0f,3.0f};
gbdata = (gmx_gbdata_t *)work;
gpol = gbdata->gpol;
nri = *p_nri;
ntype = *p_ntype;
nthreads = *p_nthreads;
facel = (*p_facel) * (1.0 - (1.0/gbdata->gb_epsilon_solvent));
krf = *p_krf;
crf = *p_crf;
tabscl = *p_tabscale;
gbtabscl = *p_gbtabscale;
nj1 = 0;
/* Splat variables */
fac = _mm_load1_pd(&facel);
tabscale = _mm_load1_pd(&tabscl);
gbtabscale = _mm_load1_pd(&gbtabscl);
/* Keep compiler happy */
dvdatmp = _mm_setzero_pd();
vgb = _mm_setzero_pd();
dvdaj = _mm_setzero_pd();
isaj = _mm_setzero_pd();
vcoul = _mm_setzero_pd();
t1 = _mm_setzero_pd();
t2 = _mm_setzero_pd();
t3 = _mm_setzero_pd();
jnr1=jnr2=0;
j13=j23=0;
for(n=0;n<nri;n++)
{
is3 = 3*shift[n];
shX = shiftvec[is3];
shY = shiftvec[is3+1];
shZ = shiftvec[is3+2];
nj0 = jindex[n];
nj1 = jindex[n+1];
offset = (nj1-nj0)%2;
ii = iinr[n];
ii3 = ii*3;
ix = _mm_set1_pd(shX+pos[ii3+0]);
iy = _mm_set1_pd(shX+pos[ii3+1]);
iz = _mm_set1_pd(shX+pos[ii3+2]);
q = _mm_set1_pd(charge[ii]);
iq = _mm_mul_pd(fac,q);
isai_d = invsqrta[ii];
isai = _mm_load1_pd(&isai_d);
fix = _mm_setzero_pd();
fiy = _mm_setzero_pd();
fiz = _mm_setzero_pd();
dvdasum = _mm_setzero_pd();
vctot = _mm_setzero_pd();
vgbtot = _mm_setzero_pd();
for(k=nj0;k<nj1-offset; k+=2)
{
jnr1 = jjnr[k];
jnr2 = jjnr[k+1];
j13 = jnr1 * 3;
j23 = jnr2 * 3;
/* Load coordinates */
xmm1 = _mm_loadu_pd(pos+j13); /* x1 y1 */
xmm2 = _mm_loadu_pd(pos+j23); /* x2 y2 */
xmm5 = _mm_load_sd(pos+j13+2); /* z1 - */
xmm6 = _mm_load_sd(pos+j23+2); /* z2 - */
/* transpose */
jx = _mm_shuffle_pd(xmm1,xmm2,_MM_SHUFFLE2(0,0));
jy = _mm_shuffle_pd(xmm1,xmm2,_MM_SHUFFLE2(1,1));
jz = _mm_shuffle_pd(xmm5,xmm6,_MM_SHUFFLE2(0,0));
/* distances */
dx = _mm_sub_pd(ix,jx);
dy = _mm_sub_pd(iy,jy);
dz = _mm_sub_pd(iz,jz);
rsq11 = _mm_add_pd( _mm_add_pd( _mm_mul_pd(dx,dx) , _mm_mul_pd(dy,dy) ) , _mm_mul_pd(dz,dz) );
rinv = my_invrsq_pd(rsq11);
/* Load invsqrta */
isaj = _mm_loadl_pd(isaj,invsqrta+jnr1);
isaj = _mm_loadh_pd(isaj,invsqrta+jnr2);
isaprod = _mm_mul_pd(isai,isaj);
/* Load charges */
q = _mm_loadl_pd(q,charge+jnr1);
q = _mm_loadh_pd(q,charge+jnr2);
qq = _mm_mul_pd(iq,q);
vcoul = _mm_mul_pd(qq,rinv);
fscal = _mm_mul_pd(vcoul,rinv);
qq = _mm_mul_pd(isaprod,qq);
qq = _mm_mul_pd(qq,neg);
gbscale = _mm_mul_pd(isaprod,gbtabscale);
/* Load dvdaj */
dvdaj = _mm_loadl_pd(dvdaj, dvda+jnr1);
dvdaj = _mm_loadh_pd(dvdaj, dvda+jnr2);
r = _mm_mul_pd(rsq11,rinv);
rt = _mm_mul_pd(r,gbscale);
n0 = _mm_cvttpd_epi32(rt);
n0d = _mm_cvtepi32_pd(n0);
eps = _mm_sub_pd(rt,n0d);
eps2 = _mm_mul_pd(eps,eps);
nnn = _mm_slli_epi64(n0,2);
xmm1 = _mm_load_pd(GBtab+(_mm_extract_epi64(nnn,0))); /* Y1 F1 */
xmm2 = _mm_load_pd(GBtab+(_mm_extract_epi64(nnn,1))); /* Y2 F2 */
xmm3 = _mm_load_pd(GBtab+(_mm_extract_epi64(nnn,0))+2); /* G1 H1 */
xmm4 = _mm_load_pd(GBtab+(_mm_extract_epi64(nnn,1))+2); /* G2 H2 */
Y = _mm_shuffle_pd(xmm1,xmm2,_MM_SHUFFLE2(0,0)); /* Y1 Y2 */
F = _mm_shuffle_pd(xmm1,xmm2,_MM_SHUFFLE2(1,1)); /* F1 F2 */
G = _mm_shuffle_pd(xmm3,xmm4,_MM_SHUFFLE2(0,0)); /* G1 G2 */
H = _mm_shuffle_pd(xmm3,xmm4,_MM_SHUFFLE2(1,1)); /* H1 H2 */
G = _mm_mul_pd(G,eps);
H = _mm_mul_pd(H,eps2);
Fp = _mm_add_pd(F,G);
Fp = _mm_add_pd(Fp,H);
VV = _mm_mul_pd(Fp,eps);
VV = _mm_add_pd(Y,VV);
H = _mm_mul_pd(two,H);
FF = _mm_add_pd(Fp,G);
FF = _mm_add_pd(FF,H);
vgb = _mm_mul_pd(qq,VV);
fijC = _mm_mul_pd(qq,FF);
fijC = _mm_mul_pd(fijC,gbscale);
dvdatmp = _mm_mul_pd(fijC,r);
dvdatmp = _mm_add_pd(vgb,dvdatmp);
dvdatmp = _mm_mul_pd(dvdatmp,neg);
dvdatmp = _mm_mul_pd(dvdatmp,half);
dvdasum = _mm_add_pd(dvdasum,dvdatmp);
xmm1 = _mm_mul_pd(dvdatmp,isaj);
xmm1 = _mm_mul_pd(xmm1,isaj);
dvdaj = _mm_add_pd(dvdaj,xmm1);
/* store dvda */
_mm_storel_pd(dvda+jnr1,dvdaj);
_mm_storeh_pd(dvda+jnr2,dvdaj);
vctot = _mm_add_pd(vctot,vcoul);
vgbtot = _mm_add_pd(vgbtot,vgb);
fscal = _mm_sub_pd(fijC,fscal);
fscal = _mm_mul_pd(fscal,neg);
fscal = _mm_mul_pd(fscal,rinv);
/* calculate partial force terms */
t1 = _mm_mul_pd(fscal,dx);
t2 = _mm_mul_pd(fscal,dy);
t3 = _mm_mul_pd(fscal,dz);
/* update the i force */
fix = _mm_add_pd(fix,t1);
fiy = _mm_add_pd(fiy,t2);
fiz = _mm_add_pd(fiz,t3);
/* accumulate forces from memory */
xmm1 = _mm_loadu_pd(faction+j13); /* fx1 fy1 */
xmm2 = _mm_loadu_pd(faction+j23); /* fx2 fy2 */
xmm5 = _mm_load1_pd(faction+j13+2); /* fz1 fz1 */
xmm6 = _mm_load1_pd(faction+j23+2); /* fz2 fz2 */
/* transpose */
xmm7 = _mm_shuffle_pd(xmm5,xmm6,_MM_SHUFFLE2(0,0)); /* fz1 fz2 */
xmm5 = _mm_shuffle_pd(xmm1,xmm2,_MM_SHUFFLE2(0,0)); /* fx1 fx2 */
xmm6 = _mm_shuffle_pd(xmm1,xmm2,_MM_SHUFFLE2(1,1)); /* fy1 fy2 */
/* subtract partial forces */
xmm5 = _mm_sub_pd(xmm5,t1);
xmm6 = _mm_sub_pd(xmm6,t2);
xmm7 = _mm_sub_pd(xmm7,t3);
xmm1 = _mm_shuffle_pd(xmm5,xmm6,_MM_SHUFFLE2(0,0)); /* fx1 fy1 */
xmm2 = _mm_shuffle_pd(xmm5,xmm6,_MM_SHUFFLE2(1,1)); /* fy1 fy2 */
/* store fx and fy */
_mm_storeu_pd(faction+j13,xmm1);
_mm_storeu_pd(faction+j23,xmm2);
/* .. then fz */
_mm_storel_pd(faction+j13+2,xmm7);
_mm_storel_pd(faction+j23+2,xmm7);
}
/* In double precision, offset can only be either 0 or 1 */
if(offset!=0)
{
jnr1 = jjnr[k];
j13 = jnr1*3;
jx = _mm_load_sd(pos+j13);
jy = _mm_load_sd(pos+j13+1);
jz = _mm_load_sd(pos+j13+2);
isaj = _mm_load_sd(invsqrta+jnr1);
isaprod = _mm_mul_sd(isai,isaj);
dvdaj = _mm_load_sd(dvda+jnr1);
q = _mm_load_sd(charge+jnr1);
qq = _mm_mul_sd(iq,q);
dx = _mm_sub_sd(ix,jx);
dy = _mm_sub_sd(iy,jy);
dz = _mm_sub_sd(iz,jz);
rsq11 = _mm_add_pd( _mm_add_pd( _mm_mul_pd(dx,dx) , _mm_mul_pd(dy,dy) ) , _mm_mul_pd(dz,dz) );
rinv = my_invrsq_pd(rsq11);
vcoul = _mm_mul_sd(qq,rinv);
fscal = _mm_mul_sd(vcoul,rinv);
qq = _mm_mul_sd(isaprod,qq);
qq = _mm_mul_sd(qq,neg);
gbscale = _mm_mul_sd(isaprod,gbtabscale);
r = _mm_mul_sd(rsq11,rinv);
rt = _mm_mul_sd(r,gbscale);
n0 = _mm_cvttpd_epi32(rt);
n0d = _mm_cvtepi32_pd(n0);
eps = _mm_sub_sd(rt,n0d);
eps2 = _mm_mul_sd(eps,eps);
nnn = _mm_slli_epi64(n0,2);
xmm1 = _mm_load_pd(GBtab+(_mm_extract_epi64(nnn,0)));
xmm2 = _mm_load_pd(GBtab+(_mm_extract_epi64(nnn,1)));
xmm3 = _mm_load_pd(GBtab+(_mm_extract_epi64(nnn,0))+2);
xmm4 = _mm_load_pd(GBtab+(_mm_extract_epi64(nnn,1))+2);
Y = _mm_shuffle_pd(xmm1,xmm2,_MM_SHUFFLE2(0,0));
F = _mm_shuffle_pd(xmm1,xmm2,_MM_SHUFFLE2(1,1));
G = _mm_shuffle_pd(xmm3,xmm4,_MM_SHUFFLE2(0,0));
H = _mm_shuffle_pd(xmm3,xmm4,_MM_SHUFFLE2(1,1));
G = _mm_mul_sd(G,eps);
H = _mm_mul_sd(H,eps2);
Fp = _mm_add_sd(F,G);
Fp = _mm_add_sd(Fp,H);
VV = _mm_mul_sd(Fp,eps);
VV = _mm_add_sd(Y,VV);
H = _mm_mul_sd(two,H);
FF = _mm_add_sd(Fp,G);
FF = _mm_add_sd(FF,H);
vgb = _mm_mul_sd(qq,VV);
fijC = _mm_mul_sd(qq,FF);
fijC = _mm_mul_sd(fijC,gbscale);
dvdatmp = _mm_mul_sd(fijC,r);
dvdatmp = _mm_add_sd(vgb,dvdatmp);
dvdatmp = _mm_mul_sd(dvdatmp,neg);
dvdatmp = _mm_mul_sd(dvdatmp,half);
dvdasum = _mm_add_sd(dvdasum,dvdatmp);
xmm1 = _mm_mul_sd(dvdatmp,isaj);
xmm1 = _mm_mul_sd(xmm1,isaj);
dvdaj = _mm_add_sd(dvdaj,xmm1);
/* store dvda */
_mm_storel_pd(dvda+jnr1,dvdaj);
vctot = _mm_add_sd(vctot,vcoul);
vgbtot = _mm_add_sd(vgbtot,vgb);
fscal = _mm_sub_sd(fijC,fscal);
fscal = _mm_mul_sd(fscal,neg);
fscal = _mm_mul_sd(fscal,rinv);
/* calculate partial force terms */
t1 = _mm_mul_sd(fscal,dx);
t2 = _mm_mul_sd(fscal,dy);
t3 = _mm_mul_sd(fscal,dz);
/* update the i force */
fix = _mm_add_sd(fix,t1);
fiy = _mm_add_sd(fiy,t2);
fiz = _mm_add_sd(fiz,t3);
/* accumulate forces from memory */
xmm5 = _mm_load_sd(faction+j13); /* fx */
xmm6 = _mm_load_sd(faction+j13+1); /* fy */
xmm7 = _mm_load_sd(faction+j13+2); /* fz */
/* subtract partial forces */
xmm5 = _mm_sub_sd(xmm5,t1);
xmm6 = _mm_sub_sd(xmm6,t2);
xmm7 = _mm_sub_sd(xmm7,t3);
/* store forces */
_mm_store_sd(faction+j13,xmm5);
_mm_store_sd(faction+j13+1,xmm6);
_mm_store_sd(faction+j13+2,xmm7);
}
/* fix/fiy/fiz now contain four partial terms, that all should be
* added to the i particle forces
*/
t1 = _mm_unpacklo_pd(t1,fix);
t2 = _mm_unpacklo_pd(t2,fiy);
t3 = _mm_unpacklo_pd(t3,fiz);
fix = _mm_add_pd(fix,t1);
fiy = _mm_add_pd(fiy,t2);
fiz = _mm_add_pd(fiz,t3);
fix = _mm_shuffle_pd(fix,fix,_MM_SHUFFLE2(1,1));
fiy = _mm_shuffle_pd(fiy,fiy,_MM_SHUFFLE2(1,1));
fiz = _mm_shuffle_pd(fiz,fiz,_MM_SHUFFLE2(1,1));
/* Load i forces from memory */
xmm1 = _mm_load_sd(faction+ii3);
xmm2 = _mm_load_sd(faction+ii3+1);
xmm3 = _mm_load_sd(faction+ii3+2);
/* Add to i force */
fix = _mm_add_sd(fix,xmm1);
fiy = _mm_add_sd(fiy,xmm2);
fiz = _mm_add_sd(fiz,xmm3);
/* store i forces to memory */
_mm_store_sd(faction+ii3,fix);
_mm_store_sd(faction+ii3+1,fiy);
_mm_store_sd(faction+ii3+2,fiz);
/* now do dvda */
dvdatmp = _mm_unpacklo_pd(dvdatmp,dvdasum);
dvdasum = _mm_add_pd(dvdasum,dvdatmp);
_mm_storeh_pd(&dva,dvdasum);
dvda[ii] = dvda[ii] + dva*isai_d*isai_d;
ggid = gid[n];
/* Coulomb potential */
vcoul = _mm_unpacklo_pd(vcoul,vctot);
vctot = _mm_add_pd(vctot,vcoul);
_mm_storeh_pd(&vct,vctot);
Vc[ggid] = Vc[ggid] + vct;
/* GB potential */
vgb = _mm_unpacklo_pd(vgb,vgbtot);
vgbtot = _mm_add_pd(vgbtot,vgb);
_mm_storeh_pd(&vgbt,vgbtot);
gpol[ggid] = gpol[ggid] + vgbt;
}
*outeriter = nri;
*inneriter = nj1;
}
void test_storel_pd(__m128d x, void* y) {
// CHECK: define void @test_storel_pd
// CHECK: store {{.*}} double* {{.*}}, align 1{{$}}
_mm_storel_pd(y, x);
}
