void gblas_quantizer::quantization(const double* input, double* output, int rows, int cols)
{
std::cerr << "Deprecated method: gblas_quantizer::quantization()" << std::endl;
exit(0);
// for (int i=0; i < rows; i++)
// {
// for (int j=0; j < cols; j++)
// {
// output[i*cols + j] = quantize_sample(&input[i*cols + j]);
// }
// }
// for (int i=0; i < rows*cols; i++)
// {
// output[i] = (int)(input[i]/gblas_status.q_step + ZERO_DOT_FIVE); //quantize_sample(&input[i]);
// }
__m128d curr;
__m128d inv_q_step = _mm_div_pd(_mm_set1_pd(1.0), _mm_set1_pd(q_step));
const double* in_p = input;
double* out_p = output;
for (int i=((rows*cols) >> 1); i > 0; i--)
{
curr = _mm_load_pd(in_p); in_p += 2;
curr = _mm_mul_pd(curr, inv_q_step);
curr = _mm_add_pd(curr, _MM_ZERO_DOT_FIVE_D);
curr = _mm_cvtepi32_pd(_mm_cvttpd_epi32(curr));
_mm_store_pd(out_p, curr); out_p += 2;
}
}
__m128i test_mm_cvttpd_epi32(__m128d A) {
// DAG-LABEL: test_mm_cvttpd_epi32
// DAG: call <4 x i32> @llvm.x86.sse2.cvttpd2dq
//
// ASM-LABEL: test_mm_cvttpd_epi32
// ASM: cvttpd2dq
return _mm_cvttpd_epi32(A);
}
SIMDValue SIMDInt32x4Operation::OpFromFloat64x2(const SIMDValue& value)
{
X86SIMDValue x86Result;
X86SIMDValue v = X86SIMDValue::ToX86SIMDValue(value);
// Converts the 2 double-precision, floating-point values to 32-bit signed integers
// using truncate. using truncate one instead of _mm_cvtpd_epi32
x86Result.m128i_value = _mm_cvttpd_epi32(v.m128d_value);
return X86SIMDValue::ToSIMDValue(x86Result);
}
/* vms_expma:
* Compute the component-wise exponential minus <a>:
* r[i] <-- e^x[i] - a
*
* The following comments apply to the SSE2 version of this code:
*
* Computation is done four doubles as a time by doing computation in paralell
* on two vectors of two doubles using SSE2 intrisics. If size is not a
* multiple of 4, the remaining elements are computed using the stdlib exp().
*
* The computation is done by first doing a range reduction of the argument of
* the type e^x = 2^k * e^f choosing k and f so that f is in [-0.5, 0.5].
* Then 2^k can be computed exactly using bit operations to build the double
* result and e^f can be efficiently computed with enough precision using a
* polynomial approximation.
*
* The polynomial approximation is done with 11th order polynomial computed by
* Remez algorithm with the Solya suite, instead of the more classical Pade
* polynomial form cause it is better suited to parallel execution. In order
* to achieve the same precision, a Pade form seems to require three less
* multiplications but need a very costly division, so it will be less
* efficient.
*
* The maximum error is less than 1lsb and special cases are correctly
* handled:
* +inf or +oor --> return +inf
* -inf or -oor --> return 0.0
* qNaN or sNaN --> return qNaN
*
* This code is copyright 2004-2012 Thomas Lavergne and licenced under the
* BSD licence like the remaining of Wapiti.
*/
void xvm_expma(double r[], const double x[], double a, uint64_t N) {
#if defined(__SSE2__) && !defined(XVM_ANSI)
#define xvm_vconst(v) (_mm_castsi128_pd(_mm_set1_epi64x((v))))
assert(r != NULL && ((uintptr_t)r % 16) == 0);
assert(x != NULL && ((uintptr_t)x % 16) == 0);
const __m128i vl = _mm_set1_epi64x(0x3ff0000000000000ULL);
const __m128d ehi = xvm_vconst(0x4086232bdd7abcd2ULL);
const __m128d elo = xvm_vconst(0xc086232bdd7abcd2ULL);
const __m128d l2e = xvm_vconst(0x3ff71547652b82feULL);
const __m128d hal = xvm_vconst(0x3fe0000000000000ULL);
const __m128d nan = xvm_vconst(0xfff8000000000000ULL);
const __m128d inf = xvm_vconst(0x7ff0000000000000ULL);
const __m128d c1 = xvm_vconst(0x3fe62e4000000000ULL);
const __m128d c2 = xvm_vconst(0x3eb7f7d1cf79abcaULL);
const __m128d p0 = xvm_vconst(0x3feffffffffffffeULL);
const __m128d p1 = xvm_vconst(0x3ff000000000000bULL);
const __m128d p2 = xvm_vconst(0x3fe0000000000256ULL);
const __m128d p3 = xvm_vconst(0x3fc5555555553a2aULL);
const __m128d p4 = xvm_vconst(0x3fa55555554e57d3ULL);
const __m128d p5 = xvm_vconst(0x3f81111111362f4fULL);
const __m128d p6 = xvm_vconst(0x3f56c16c25f3bae1ULL);
const __m128d p7 = xvm_vconst(0x3f2a019fc9310c33ULL);
const __m128d p8 = xvm_vconst(0x3efa01825f3cb28bULL);
const __m128d p9 = xvm_vconst(0x3ec71e2bd880fdd8ULL);
const __m128d p10 = xvm_vconst(0x3e9299068168ac8fULL);
const __m128d p11 = xvm_vconst(0x3e5ac52350b60b19ULL);
const __m128d va = _mm_set1_pd(a);
for (uint64_t n = 0; n < N; n += 4) {
__m128d mn1, mn2, mi1, mi2;
__m128d t1, t2, d1, d2;
__m128d v1, v2, w1, w2;
__m128i k1, k2;
__m128d f1, f2;
// Load the next four values
__m128d x1 = _mm_load_pd(x + n );
__m128d x2 = _mm_load_pd(x + n + 2);
// Check for out of ranges, infinites and NaN
mn1 = _mm_cmpneq_pd(x1, x1); mn2 = _mm_cmpneq_pd(x2, x2);
mi1 = _mm_cmpgt_pd(x1, ehi); mi2 = _mm_cmpgt_pd(x2, ehi);
x1 = _mm_max_pd(x1, elo); x2 = _mm_max_pd(x2, elo);
// Range reduction: we search k and f such that e^x = 2^k * e^f
// with f in [-0.5, 0.5]
t1 = _mm_mul_pd(x1, l2e); t2 = _mm_mul_pd(x2, l2e);
t1 = _mm_add_pd(t1, hal); t2 = _mm_add_pd(t2, hal);
k1 = _mm_cvttpd_epi32(t1); k2 = _mm_cvttpd_epi32(t2);
d1 = _mm_cvtepi32_pd(k1); d2 = _mm_cvtepi32_pd(k2);
t1 = _mm_mul_pd(d1, c1); t2 = _mm_mul_pd(d2, c1);
f1 = _mm_sub_pd(x1, t1); f2 = _mm_sub_pd(x2, t2);
t1 = _mm_mul_pd(d1, c2); t2 = _mm_mul_pd(d2, c2);
f1 = _mm_sub_pd(f1, t1); f2 = _mm_sub_pd(f2, t2);
// Evaluation of e^f using a 11th order polynom in Horner form
v1 = _mm_mul_pd(f1, p11); v2 = _mm_mul_pd(f2, p11);
v1 = _mm_add_pd(v1, p10); v2 = _mm_add_pd(v2, p10);
v1 = _mm_mul_pd(v1, f1); v2 = _mm_mul_pd(v2, f2);
v1 = _mm_add_pd(v1, p9); v2 = _mm_add_pd(v2, p9);
v1 = _mm_mul_pd(v1, f1); v2 = _mm_mul_pd(v2, f2);
v1 = _mm_add_pd(v1, p8); v2 = _mm_add_pd(v2, p8);
v1 = _mm_mul_pd(v1, f1); v2 = _mm_mul_pd(v2, f2);
v1 = _mm_add_pd(v1, p7); v2 = _mm_add_pd(v2, p7);
v1 = _mm_mul_pd(v1, f1); v2 = _mm_mul_pd(v2, f2);
v1 = _mm_add_pd(v1, p6); v2 = _mm_add_pd(v2, p6);
v1 = _mm_mul_pd(v1, f1); v2 = _mm_mul_pd(v2, f2);
v1 = _mm_add_pd(v1, p5); v2 = _mm_add_pd(v2, p5);
v1 = _mm_mul_pd(v1, f1); v2 = _mm_mul_pd(v2, f2);
v1 = _mm_add_pd(v1, p4); v2 = _mm_add_pd(v2, p4);
v1 = _mm_mul_pd(v1, f1); v2 = _mm_mul_pd(v2, f2);
v1 = _mm_add_pd(v1, p3); v2 = _mm_add_pd(v2, p3);
v1 = _mm_mul_pd(v1, f1); v2 = _mm_mul_pd(v2, f2);
v1 = _mm_add_pd(v1, p2); v2 = _mm_add_pd(v2, p2);
v1 = _mm_mul_pd(v1, f1); v2 = _mm_mul_pd(v2, f2);
v1 = _mm_add_pd(v1, p1); v2 = _mm_add_pd(v2, p1);
v1 = _mm_mul_pd(v1, f1); v2 = _mm_mul_pd(v2, f2);
v1 = _mm_add_pd(v1, p0); v2 = _mm_add_pd(v2, p0);
// Evaluation of 2^k using bitops to achieve exact computation
k1 = _mm_slli_epi32(k1, 20); k2 = _mm_slli_epi32(k2, 20);
k1 = _mm_shuffle_epi32(k1, 0x72);
k2 = _mm_shuffle_epi32(k2, 0x72);
k1 = _mm_add_epi32(k1, vl); k2 = _mm_add_epi32(k2, vl);
w1 = _mm_castsi128_pd(k1); w2 = _mm_castsi128_pd(k2);
// Return to full range to substract <a>
v1 = _mm_mul_pd(v1, w1); v2 = _mm_mul_pd(v2, w2);
v1 = _mm_sub_pd(v1, va); v2 = _mm_sub_pd(v2, va);
// Finally apply infinite and NaN where needed
v1 = _mm_or_pd(_mm_and_pd(mi1, inf), _mm_andnot_pd(mi1, v1));
v2 = _mm_or_pd(_mm_and_pd(mi2, inf), _mm_andnot_pd(mi2, v2));
v1 = _mm_or_pd(_mm_and_pd(mn1, nan), _mm_andnot_pd(mn1, v1));
v2 = _mm_or_pd(_mm_and_pd(mn2, nan), _mm_andnot_pd(mn2, v2));
// Store the results
_mm_store_pd(r + n, v1);
_mm_store_pd(r + n + 2, v2);
}
#else
for (uint64_t n = 0; n < N; n++)
r[n] = exp(x[n]) - a;
#endif
}
void AVXFMA4DNoise(Vector3d& result, const Vector3d& EPoint)
{
DBL x, y, z;
int ix, iy, iz;
int ixiy_hash, ixjy_hash, jxiy_hash, jxjy_hash;
// TODO FIXME - global statistics reference
// Stats[Calls_To_DNoise]++;
x = EPoint[X];
y = EPoint[Y];
z = EPoint[Z];
/* its equivalent integer lattice point. */
/*ix = (int)x; iy = (int)y; iz = (int)z;
x_ix = x - ix; y_iy = y - iy; z_iz = z - iz;*/
/* JB fix for the range problem */
__m128d xy = _mm_setr_pd(x, y);
__m128d zn = _mm_set_sd(z);
__m128d epsy = _mm_set1_pd(1.0 - EPSILON);
__m128d xy_e = _mm_sub_pd(xy, epsy);
__m128d zn_e = _mm_sub_sd(zn, epsy);
__m128i tmp_xy = _mm_cvttpd_epi32(_mm_blendv_pd(xy, xy_e, xy));
__m128i tmp_zn = _mm_cvttpd_epi32(_mm_blendv_pd(zn, zn_e, zn));
__m128i noise_min_xy = _mm_setr_epi32(NOISE_MINX, NOISE_MINY, 0, 0);
__m128i noise_min_zn = _mm_set1_epi32(NOISE_MINZ);
__m128d xy_ixy = _mm_sub_pd(xy, _mm_cvtepi32_pd(tmp_xy));
__m128d zn_izn = _mm_sub_sd(zn, _mm_cvtepi32_pd(tmp_zn));
const __m128i fff = _mm_set1_epi32(0xfff);
__m128i i_xy = _mm_and_si128(_mm_sub_epi32(tmp_xy, noise_min_xy), fff);
__m128i i_zn = _mm_and_si128(_mm_sub_epi32(tmp_zn, noise_min_zn), fff);
ix = _mm_extract_epi32(i_xy, 0);
iy = _mm_extract_epi32(i_xy, 1);
iz = _mm_extract_epi32(i_zn, 0);
ixiy_hash = Hash2d(ix, iy);
jxiy_hash = Hash2d(ix + 1, iy);
ixjy_hash = Hash2d(ix, iy + 1);
jxjy_hash = Hash2d(ix + 1, iy + 1);
DBL* mp1 = &RTable[Hash1dRTableIndex(ixiy_hash, iz)];
DBL* mp2 = &RTable[Hash1dRTableIndex(jxiy_hash, iz)];
DBL* mp3 = &RTable[Hash1dRTableIndex(jxjy_hash, iz)];
DBL* mp4 = &RTable[Hash1dRTableIndex(ixjy_hash, iz)];
DBL* mp5 = &RTable[Hash1dRTableIndex(ixjy_hash, iz + 1)];
DBL* mp6 = &RTable[Hash1dRTableIndex(jxjy_hash, iz + 1)];
DBL* mp7 = &RTable[Hash1dRTableIndex(jxiy_hash, iz + 1)];
DBL* mp8 = &RTable[Hash1dRTableIndex(ixiy_hash, iz + 1)];
const __m128d three = _mm_set1_pd(3.0);
const __m128d two = _mm_set1_pd(2.0);
const __m128d one = _mm_set1_pd(1.0);
__m128d ix_mm = _mm_unpacklo_pd(xy_ixy, xy_ixy);
__m128d iy_mm = _mm_unpackhi_pd(xy_ixy, xy_ixy);
__m128d iz_mm = _mm_unpacklo_pd(zn_izn, zn_izn);
__m128d jx_mm = _mm_sub_pd(ix_mm, one);
__m128d jy_mm = _mm_sub_pd(iy_mm, one);
__m128d jz_mm = _mm_sub_pd(iz_mm, one);
__m128d mm_sz = _mm_mul_pd(_mm_mul_pd(iz_mm, iz_mm), _mm_nmacc_pd(two, iz_mm, three));
__m128d mm_tz = _mm_sub_pd(one, mm_sz);
__m128d mm_sxy = _mm_mul_pd(_mm_mul_pd(xy_ixy, xy_ixy), _mm_nmacc_pd(two, xy_ixy, three));
__m128d mm_txy = _mm_sub_pd(one, mm_sxy);
__m128d mm_tysy = _mm_unpackhi_pd(mm_txy, mm_sxy);
__m128d mm_txty_txsy = _mm_mul_pd(_mm_unpacklo_pd(mm_txy, mm_txy), mm_tysy);
__m128d mm_sxty_sxsy = _mm_mul_pd(_mm_unpacklo_pd(mm_sxy, mm_sxy), mm_tysy);
__m128d mm_txty_txsy_tz = _mm_mul_pd(mm_txty_txsy, mm_tz);
__m128d mm_txty_txsy_sz = _mm_mul_pd(mm_txty_txsy, mm_sz);
__m128d mm_sxty_sxsy_tz = _mm_mul_pd(mm_sxty_sxsy, mm_tz);
__m128d mm_sxty_sxsy_sz = _mm_mul_pd(mm_sxty_sxsy, mm_sz);
__m128d mp_t1, mp_t2, mp1_mm, mp2_mm, mp4_mm, mp6_mm, sum_p;
__m128d sum_X_Y = _mm_setzero_pd();
__m128d sum__Z = _mm_setzero_pd();
__m128d mm_s1 = _mm_unpacklo_pd(mm_txty_txsy_tz, mm_txty_txsy_tz);
INCRSUMP2(mp1, mp1 + 8, mm_s1, ix_mm, iy_mm, iz_mm, sum_X_Y);
__m128d mm_s2 = _mm_unpacklo_pd(mm_sxty_sxsy_tz, mm_sxty_sxsy_tz);
INCRSUMP2(mp2, mp2 + 8, mm_s2, jx_mm, iy_mm, iz_mm, sum_X_Y);
__m128d mm_s3 = _mm_unpackhi_pd(mm_sxty_sxsy_tz, mm_sxty_sxsy_tz);
INCRSUMP2(mp3, mp3 + 8, mm_s3, jx_mm, jy_mm, iz_mm, sum_X_Y);
__m128d mm_s4 = _mm_unpackhi_pd(mm_txty_txsy_tz, mm_txty_txsy_tz);
INCRSUMP2(mp4, mp4 + 8, mm_s4, ix_mm, jy_mm, iz_mm, sum_X_Y);
__m128d mm_s5 = _mm_unpackhi_pd(mm_txty_txsy_sz, mm_txty_txsy_sz);
INCRSUMP2(mp5, mp5 + 8, mm_s5, ix_mm, jy_mm, jz_mm, sum_X_Y);
__m128d mm_s6 = _mm_unpackhi_pd(mm_sxty_sxsy_sz, mm_sxty_sxsy_sz);
INCRSUMP2(mp6, mp6 + 8, mm_s6, jx_mm, jy_mm, jz_mm, sum_X_Y);
__m128d mm_s7 = _mm_unpacklo_pd(mm_sxty_sxsy_sz, mm_sxty_sxsy_sz);
INCRSUMP2(mp7, mp7 + 8, mm_s7, jx_mm, iy_mm, jz_mm, sum_X_Y);
__m128d mm_s8 = _mm_unpacklo_pd(mm_txty_txsy_sz, mm_txty_txsy_sz);
INCRSUMP2(mp8, mp8 + 8, mm_s8, ix_mm, iy_mm, jz_mm, sum_X_Y);
__m128d iy_jy = _mm_unpacklo_pd(iy_mm, jy_mm);
INCRSUMP2(mp1 + 16, mp4 + 16, mm_txty_txsy_tz, ix_mm, iy_jy, iz_mm, sum__Z);
INCRSUMP2(mp8 + 16, mp5 + 16, mm_txty_txsy_sz, ix_mm, iy_jy, jz_mm, sum__Z);
INCRSUMP2(mp2 + 16, mp3 + 16, mm_sxty_sxsy_tz, jx_mm, iy_jy, iz_mm, sum__Z);
INCRSUMP2(mp7 + 16, mp6 + 16, mm_sxty_sxsy_sz, jx_mm, iy_jy, jz_mm, sum__Z);
sum__Z = _mm_hadd_pd(sum__Z, sum__Z);
_mm_storeu_pd(*result, sum_X_Y);
_mm_store_sd(&result[Z], sum__Z);
}
DBL AVXFMA4Noise(const Vector3d& EPoint, int noise_generator)
{
DBL x, y, z;
DBL *mp;
int ix, iy, iz;
int ixiy_hash, ixjy_hash, jxiy_hash, jxjy_hash;
DBL sum;
// TODO FIXME - global statistics reference
// Stats[Calls_To_Noise]++;
if (noise_generator==kNoiseGen_Perlin)
{
// The 1.59 and 0.985 are to correct for some biasing problems with
// the random # generator used to create the noise tables. Final
// range of values is about 5.0e-4 below 0.0 and above 1.0. Mean
// value is 0.49 (ideally it would be 0.5).
sum = 0.5 * (1.59 * SolidNoise(EPoint) + 0.985);
// Clamp final value to 0-1 range
if (sum < 0.0) sum = 0.0;
if (sum > 1.0) sum = 1.0;
return sum;
}
x = EPoint[X];
y = EPoint[Y];
z = EPoint[Z];
/* its equivalent integer lattice point. */
/* ix = (int)x; iy = (int)y; iz = (long)z; */
/* JB fix for the range problem */
__m128d xy = _mm_setr_pd(x, y);
__m128d zn = _mm_set_sd(z);
__m128d epsy = _mm_set1_pd(1.0 - EPSILON);
__m128d xy_e = _mm_sub_pd(xy, epsy);
__m128d zn_e = _mm_sub_sd(zn, epsy);
__m128i tmp_xy = _mm_cvttpd_epi32(_mm_blendv_pd(xy, xy_e, xy));
__m128i tmp_zn = _mm_cvttpd_epi32(_mm_blendv_pd(zn, zn_e, zn));
__m128i noise_min_xy = _mm_setr_epi32(NOISE_MINX, NOISE_MINY, 0, 0);
__m128i noise_min_zn = _mm_set1_epi32(NOISE_MINZ);
__m128d xy_ixy = _mm_sub_pd(xy, _mm_cvtepi32_pd(tmp_xy));
__m128d zn_izn = _mm_sub_sd(zn, _mm_cvtepi32_pd(tmp_zn));
const __m128i fff = _mm_set1_epi32(0xfff);
__m128i i_xy = _mm_and_si128(_mm_sub_epi32(tmp_xy, noise_min_xy), fff);
__m128i i_zn = _mm_and_si128(_mm_sub_epi32(tmp_zn, noise_min_zn), fff);
ix = _mm_extract_epi32(i_xy, 0);
iy = _mm_extract_epi32(i_xy, 1);
iz = _mm_extract_epi32(i_zn, 0);
ixiy_hash = Hash2d(ix, iy);
jxiy_hash = Hash2d(ix + 1, iy);
ixjy_hash = Hash2d(ix, iy + 1);
jxjy_hash = Hash2d(ix + 1, iy + 1);
mp = &RTable[Hash1dRTableIndex(ixiy_hash, iz)];
DBL *mp2 = &RTable[Hash1dRTableIndex(ixjy_hash, iz)];
DBL *mp3 = &RTable[Hash1dRTableIndex(ixiy_hash, iz + 1)];
DBL *mp4 = &RTable[Hash1dRTableIndex(ixjy_hash, iz + 1)];
DBL *mp5 = &RTable[Hash1dRTableIndex(jxiy_hash, iz)];
DBL *mp6 = &RTable[Hash1dRTableIndex(jxjy_hash, iz)];
DBL *mp7 = &RTable[Hash1dRTableIndex(jxiy_hash, iz + 1)];
DBL *mp8 = &RTable[Hash1dRTableIndex(jxjy_hash, iz + 1)];
const __m128d three = _mm_set1_pd(3.0);
const __m128d two = _mm_set1_pd(2.0);
const __m128d one = _mm_set1_pd(1.0);
__m128d ix_mm = _mm_unpacklo_pd(xy_ixy, xy_ixy);
__m128d iy_mm = _mm_unpackhi_pd(xy_ixy, xy_ixy);
__m128d iz_mm = _mm_unpacklo_pd(zn_izn, zn_izn);
__m128d jx_mm = _mm_sub_pd(ix_mm, one);
__m128d jy_mm = _mm_sub_pd(iy_mm, one);
__m128d jz_mm = _mm_sub_pd(iz_mm, one);
__m128d mm_sxy = _mm_mul_pd(_mm_mul_pd(xy_ixy, xy_ixy), _mm_nmacc_pd(two, xy_ixy, three));
__m128d mm_sz = _mm_mul_pd(_mm_mul_pd(iz_mm, iz_mm), _mm_nmacc_pd(two, iz_mm, three));
__m128d mm_tz = _mm_sub_pd(one, mm_sz);
__m128d mm_txy = _mm_sub_pd(one, mm_sxy);
__m128d mm_tysy = _mm_unpackhi_pd(mm_txy, mm_sxy);
__m128d mm_txty_txsy = _mm_mul_pd(_mm_unpacklo_pd(mm_txy, mm_txy), mm_tysy);
__m128d mm_sxty_sxsy = _mm_mul_pd(_mm_unpacklo_pd(mm_sxy, mm_sxy), mm_tysy);
__m128d y_mm = _mm_unpacklo_pd(iy_mm, jy_mm);
__m128d mp_t1, mp_t2, mp1_mm, mp2_mm, mp4_mm, mp6_mm, sum_p, s_mm;
__m128d int_sum1 = _mm_setzero_pd();
s_mm = _mm_mul_pd(mm_txty_txsy, mm_tz);
INCRSUMP2(mp, mp2, s_mm, ix_mm, y_mm, iz_mm, int_sum1);
s_mm = _mm_mul_pd(mm_txty_txsy, mm_sz);
INCRSUMP2(mp3, mp4, s_mm, ix_mm, y_mm, jz_mm, int_sum1);
s_mm = _mm_mul_pd(mm_sxty_sxsy, mm_tz);
INCRSUMP2(mp5, mp6, s_mm, jx_mm, y_mm, iz_mm, int_sum1);
s_mm = _mm_mul_pd(mm_sxty_sxsy, mm_sz);
INCRSUMP2(mp7, mp8, s_mm, jx_mm, y_mm, jz_mm, int_sum1);
int_sum1 = _mm_hadd_pd(int_sum1, int_sum1);
if(noise_generator==kNoiseGen_RangeCorrected)
{
/* details of range here:
Min, max: -1.05242, 0.988997
Mean: -0.0191481, Median: -0.535493, Std Dev: 0.256828
We want to change it to as close to [0,1] as possible.
*/
const __m128d r2 = _mm_set_sd(0.48985582);
const __m128d r1r2 = _mm_set_sd(1.05242*0.48985582);
int_sum1 = _mm_macc_sd(int_sum1, r2, r1r2);
}
else
{
int_sum1 = _mm_add_sd(int_sum1, _mm_set_sd(0.5));
}
int_sum1 = _mm_min_sd(one, int_sum1);
int_sum1 = _mm_max_sd(_mm_setzero_pd(), int_sum1);
_mm_store_sd(&sum, int_sum1);
return (sum);
}
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 nb_kernel430_ia32_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;
int n,ii,is3,ii3,k,nj0,nj1,ggid;
double shX,shY,shZ;
int offset,nti;
int jnrA,jnrB;
int j3A,j3B;
int tjA,tjB;
gmx_gbdata_t *gbdata;
double * gpol;
__m128d iq,qq,jq,isai;
__m128d ix,iy,iz;
__m128d jx,jy,jz;
__m128d dx,dy,dz;
__m128d vctot,vvdwtot,vgbtot,dvdasum,gbfactor;
__m128d fix,fiy,fiz,tx,ty,tz,rsq;
__m128d rinv,isaj,isaprod;
__m128d vcoul,fscal,gbscale,c6,c12;
__m128d rinvsq,r,rtab;
__m128d eps,Y,F,G,H;
__m128d VV,FF,Fp;
__m128d vgb,fijGB,dvdatmp;
__m128d rinvsix,vvdw6,vvdw12,vvdwtmp;
__m128d facel,gbtabscale,dvdaj;
__m128d fijD,fijR;
__m128d xmm1,tabscale,eps2;
__m128i n0, nnn;
const __m128d neg = _mm_set1_pd(-1.0);
const __m128d zero = _mm_set1_pd(0.0);
const __m128d minushalf = _mm_set1_pd(-0.5);
const __m128d two = _mm_set1_pd(2.0);
gbdata = (gmx_gbdata_t *)work;
gpol = gbdata->gpol;
nri = *p_nri;
ntype = *p_ntype;
gbfactor = _mm_set1_pd( - ((1.0/gbdata->epsilon_r) - (1.0/gbdata->gb_epsilon_solvent)));
gbtabscale = _mm_load1_pd(p_gbtabscale);
facel = _mm_load1_pd(p_facel);
tabscale = _mm_load1_pd(p_tabscale);
nj1 = 0;
jnrA = jnrB = 0;
j3A = j3B = 0;
jx = _mm_setzero_pd();
jy = _mm_setzero_pd();
jz = _mm_setzero_pd();
c6 = _mm_setzero_pd();
c12 = _mm_setzero_pd();
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];
ii = iinr[n];
ii3 = 3*ii;
ix = _mm_set1_pd(shX+pos[ii3+0]);
iy = _mm_set1_pd(shY+pos[ii3+1]);
iz = _mm_set1_pd(shZ+pos[ii3+2]);
iq = _mm_load1_pd(charge+ii);
iq = _mm_mul_pd(iq,facel);
isai = _mm_load1_pd(invsqrta+ii);
nti = 2*ntype*type[ii];
vctot = _mm_setzero_pd();
vvdwtot = _mm_setzero_pd();
vgbtot = _mm_setzero_pd();
dvdasum = _mm_setzero_pd();
fix = _mm_setzero_pd();
fiy = _mm_setzero_pd();
fiz = _mm_setzero_pd();
for(k=nj0;k<nj1-1; k+=2)
{
jnrA = jjnr[k];
jnrB = jjnr[k+1];
j3A = jnrA * 3;
j3B = jnrB * 3;
GMX_MM_LOAD_1RVEC_2POINTERS_PD(pos+j3A,pos+j3B,jx,jy,jz);
dx = _mm_sub_pd(ix,jx);
dy = _mm_sub_pd(iy,jy);
dz = _mm_sub_pd(iz,jz);
rsq = gmx_mm_calc_rsq_pd(dx,dy,dz);
rinv = gmx_mm_invsqrt_pd(rsq);
rinvsq = _mm_mul_pd(rinv,rinv);
/***********************************/
/* INTERACTION SECTION STARTS HERE */
/***********************************/
GMX_MM_LOAD_2VALUES_PD(charge+jnrA,charge+jnrB,jq);
GMX_MM_LOAD_2VALUES_PD(invsqrta+jnrA,invsqrta+jnrB,isaj);
/* Lennard-Jones */
tjA = nti+2*type[jnrA];
tjB = nti+2*type[jnrB];
GMX_MM_LOAD_2PAIRS_PD(vdwparam+tjA,vdwparam+tjB,c6,c12);
isaprod = _mm_mul_pd(isai,isaj);
qq = _mm_mul_pd(iq,jq);
vcoul = _mm_mul_pd(qq,rinv);
fscal = _mm_mul_pd(vcoul,rinv);
vctot = _mm_add_pd(vctot,vcoul);
/* Polarization interaction */
qq = _mm_mul_pd(qq,_mm_mul_pd(isaprod,gbfactor));
gbscale = _mm_mul_pd(isaprod,gbtabscale);
/* Calculate GB table index */
r = _mm_mul_pd(rsq,rinv);
rtab = _mm_mul_pd(r,gbscale);
n0 = _mm_cvttpd_epi32(rtab);
eps = _mm_sub_pd(rtab,_mm_cvtepi32_pd(n0));
nnn = _mm_slli_epi32(n0,2);
/* the tables are 16-byte aligned, so we can use _mm_load_pd */
Y = _mm_load_pd(GBtab+(gmx_mm_extract_epi32(nnn,0)));
F = _mm_load_pd(GBtab+(gmx_mm_extract_epi32(nnn,1)));
GMX_MM_TRANSPOSE2_PD(Y,F);
G = _mm_load_pd(GBtab+(gmx_mm_extract_epi32(nnn,0))+2);
H = _mm_load_pd(GBtab+(gmx_mm_extract_epi32(nnn,1))+2);
GMX_MM_TRANSPOSE2_PD(G,H);
G = _mm_mul_pd(G,eps);
H = _mm_mul_pd(H, _mm_mul_pd(eps,eps) );
F = _mm_add_pd(F, _mm_add_pd( G , H ) );
Y = _mm_add_pd(Y, _mm_mul_pd(F, eps));
F = _mm_add_pd(F, _mm_add_pd(G , _mm_mul_pd(H,two)));
vgb = _mm_mul_pd(Y, qq);
fijGB = _mm_mul_pd(F, _mm_mul_pd(qq,gbscale));
dvdatmp = _mm_mul_pd(_mm_add_pd(vgb, _mm_mul_pd(fijGB,r)) , minushalf);
vgbtot = _mm_add_pd(vgbtot, vgb);
dvdasum = _mm_add_pd(dvdasum, dvdatmp);
dvdatmp = _mm_mul_pd(dvdatmp, _mm_mul_pd(isaj,isaj));
GMX_MM_INCREMENT_2VALUES_PD(dvda+jnrA,dvda+jnrB,dvdatmp);
/* Calculate VDW table index */
rtab = _mm_mul_pd(r,tabscale);
n0 = _mm_cvttpd_epi32(rtab);
eps = _mm_sub_pd(rtab,_mm_cvtepi32_pd(n0));
eps2 = _mm_mul_pd(eps,eps);
nnn = _mm_slli_epi32(n0,3);
/* Dispersion */
Y = _mm_load_pd(VFtab+(gmx_mm_extract_epi32(nnn,0)));
F = _mm_load_pd(VFtab+(gmx_mm_extract_epi32(nnn,1)));
GMX_MM_TRANSPOSE2_PD(Y,F);
G = _mm_load_pd(VFtab+(gmx_mm_extract_epi32(nnn,0))+2);
H = _mm_load_pd(VFtab+(gmx_mm_extract_epi32(nnn,1))+2);
GMX_MM_TRANSPOSE2_PD(G,H);
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);
xmm1 = _mm_mul_pd(two,H);
FF = _mm_add_pd(Fp,G);
FF = _mm_add_pd(FF,xmm1);
vvdw6 = _mm_mul_pd(c6,VV);
fijD = _mm_mul_pd(c6,FF);
/* Dispersion */
Y = _mm_load_pd(VFtab+(gmx_mm_extract_epi32(nnn,0))+4);
F = _mm_load_pd(VFtab+(gmx_mm_extract_epi32(nnn,1))+4);
GMX_MM_TRANSPOSE2_PD(Y,F);
G = _mm_load_pd(VFtab+(gmx_mm_extract_epi32(nnn,0))+6);
H = _mm_load_pd(VFtab+(gmx_mm_extract_epi32(nnn,1))+6);
GMX_MM_TRANSPOSE2_PD(G,H);
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);
xmm1 = _mm_mul_pd(two,H);
FF = _mm_add_pd(Fp,G);
FF = _mm_add_pd(FF,xmm1);
vvdw12 = _mm_mul_pd(c12,VV);
fijR = _mm_mul_pd(c12,FF);
vvdwtmp = _mm_add_pd(vvdw12,vvdw6);
vvdwtot = _mm_add_pd(vvdwtot,vvdwtmp);
xmm1 = _mm_add_pd(fijD,fijR);
xmm1 = _mm_mul_pd(xmm1,tabscale);
xmm1 = _mm_add_pd(xmm1,fijGB);
xmm1 = _mm_sub_pd(xmm1,fscal);
fscal = _mm_mul_pd(xmm1,neg);
fscal = _mm_mul_pd(fscal,rinv);
/***********************************/
/* INTERACTION SECTION ENDS HERE */
/***********************************/
/* Calculate temporary vectorial force */
tx = _mm_mul_pd(fscal,dx);
ty = _mm_mul_pd(fscal,dy);
tz = _mm_mul_pd(fscal,dz);
/* Increment i atom force */
fix = _mm_add_pd(fix,tx);
fiy = _mm_add_pd(fiy,ty);
fiz = _mm_add_pd(fiz,tz);
/* Store j forces back */
GMX_MM_DECREMENT_1RVEC_2POINTERS_PD(faction+j3A,faction+j3B,tx,ty,tz);
}
/* In double precision, offset can only be either 0 or 1 */
if(k<nj1)
{
jnrA = jjnr[k];
j3A = jnrA * 3;
GMX_MM_LOAD_1RVEC_1POINTER_PD(pos+j3A,jx,jy,jz);
dx = _mm_sub_sd(ix,jx);
dy = _mm_sub_sd(iy,jy);
dz = _mm_sub_sd(iz,jz);
rsq = gmx_mm_calc_rsq_pd(dx,dy,dz);
rinv = gmx_mm_invsqrt_pd(rsq);
rinvsq = _mm_mul_sd(rinv,rinv);
/* These reason for zeroing these variables here is for fixing bug 585
* What happens is that __m128d _mm_add_sd(a,b) gives back r0=a[0]+b[0],
* and r1=0, but it should be r1=a[1].
* This might be a compiler issue (tested with gcc-4.1.3 and -O3).
* To work around it, we zero these variables and use _mm_add_pd (**) instead
* Note that the only variables that get affected are the energies since
* the total sum needs to be correct
*/
vgb = _mm_setzero_pd();
vcoul = _mm_setzero_pd();
dvdatmp = _mm_setzero_pd();
vvdw6 = _mm_setzero_pd();
vvdw12 = _mm_setzero_pd();
/***********************************/
/* INTERACTION SECTION STARTS HERE */
/***********************************/
GMX_MM_LOAD_1VALUE_PD(charge+jnrA,jq);
GMX_MM_LOAD_1VALUE_PD(invsqrta+jnrA,isaj);
/* Lennard-Jones */
tjA = nti+2*type[jnrA];
GMX_MM_LOAD_1PAIR_PD(vdwparam+tjA,c6,c12);
isaprod = _mm_mul_sd(isai,isaj);
qq = _mm_mul_sd(jq,iq);
vcoul = _mm_mul_sd(qq,rinv);
fscal = _mm_mul_sd(vcoul,rinv);
vctot = _mm_add_pd(vctot,vcoul); /* (**) */
/* Polarization interaction */
qq = _mm_mul_sd(qq,_mm_mul_sd(isaprod,gbfactor));
gbscale = _mm_mul_sd(isaprod,gbtabscale);
/* Calculate GB table index */
r = _mm_mul_sd(rsq,rinv);
rtab = _mm_mul_sd(r,gbscale);
n0 = _mm_cvttpd_epi32(rtab);
eps = _mm_sub_sd(rtab,_mm_cvtepi32_pd(n0));
nnn = _mm_slli_epi32(n0,2);
/* the tables are 16-byte aligned, so we can use _mm_load_pd */
Y = _mm_load_pd(GBtab+(gmx_mm_extract_epi32(nnn,0)));
F = _mm_setzero_pd();
GMX_MM_TRANSPOSE2_PD(Y,F);
G = _mm_load_pd(GBtab+(gmx_mm_extract_epi32(nnn,0))+2);
H = _mm_setzero_pd();
GMX_MM_TRANSPOSE2_PD(G,H);
G = _mm_mul_sd(G,eps);
H = _mm_mul_sd(H, _mm_mul_sd(eps,eps) );
F = _mm_add_sd(F, _mm_add_sd( G , H ) );
Y = _mm_add_sd(Y, _mm_mul_sd(F, eps));
F = _mm_add_sd(F, _mm_add_sd(G , _mm_mul_sd(H,two)));
vgb = _mm_mul_sd(Y, qq);
fijGB = _mm_mul_sd(F, _mm_mul_sd(qq,gbscale));
dvdatmp = _mm_mul_sd(_mm_add_sd(vgb, _mm_mul_sd(fijGB,r)) , minushalf);
vgbtot = _mm_add_pd(vgbtot, vgb); /* (**) */
dvdasum = _mm_add_pd(dvdasum, dvdatmp); /* (**) */
dvdatmp = _mm_mul_sd(dvdatmp, _mm_mul_sd(isaj,isaj));
GMX_MM_INCREMENT_1VALUE_PD(dvda+jnrA,dvdatmp);
/* Calculate VDW table index */
rtab = _mm_mul_sd(r,tabscale);
n0 = _mm_cvttpd_epi32(rtab);
eps = _mm_sub_sd(rtab,_mm_cvtepi32_pd(n0));
eps2 = _mm_mul_sd(eps,eps);
nnn = _mm_slli_epi32(n0,3);
/* Dispersion */
Y = _mm_load_pd(VFtab+(gmx_mm_extract_epi32(nnn,0)));
F = _mm_setzero_pd();
GMX_MM_TRANSPOSE2_PD(Y,F);
G = _mm_load_pd(VFtab+(gmx_mm_extract_epi32(nnn,0))+2);
H = _mm_setzero_pd();
GMX_MM_TRANSPOSE2_PD(G,H);
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);
xmm1 = _mm_mul_sd(two,H);
FF = _mm_add_sd(Fp,G);
FF = _mm_add_sd(FF,xmm1);
vvdw6 = _mm_mul_sd(c6,VV);
fijD = _mm_mul_sd(c6,FF);
/* Dispersion */
Y = _mm_load_pd(VFtab+(gmx_mm_extract_epi32(nnn,0))+4);
F = _mm_setzero_pd();
GMX_MM_TRANSPOSE2_PD(Y,F);
G = _mm_load_pd(VFtab+(gmx_mm_extract_epi32(nnn,0))+6);
H = _mm_setzero_pd();
GMX_MM_TRANSPOSE2_PD(G,H);
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);
xmm1 = _mm_mul_sd(two,H);
FF = _mm_add_sd(Fp,G);
FF = _mm_add_sd(FF,xmm1);
vvdw12 = _mm_mul_sd(c12,VV);
fijR = _mm_mul_sd(c12,FF);
vvdwtmp = _mm_add_sd(vvdw12,vvdw6);
vvdwtot = _mm_add_pd(vvdwtot,vvdwtmp); /* (**) */
xmm1 = _mm_add_sd(fijD,fijR);
xmm1 = _mm_mul_sd(xmm1,tabscale);
xmm1 = _mm_add_sd(xmm1,fijGB);
xmm1 = _mm_sub_sd(xmm1,fscal);
fscal = _mm_mul_sd(xmm1,neg);
fscal = _mm_mul_sd(fscal,rinv);
/***********************************/
/* INTERACTION SECTION ENDS HERE */
/***********************************/
/* Calculate temporary vectorial force */
tx = _mm_mul_sd(fscal,dx);
ty = _mm_mul_sd(fscal,dy);
tz = _mm_mul_sd(fscal,dz);
/* Increment i atom force */
fix = _mm_add_sd(fix,tx);
fiy = _mm_add_sd(fiy,ty);
fiz = _mm_add_sd(fiz,tz);
/* Store j forces back */
GMX_MM_DECREMENT_1RVEC_1POINTER_PD(faction+j3A,tx,ty,tz);
}
dvdasum = _mm_mul_pd(dvdasum, _mm_mul_pd(isai,isai));
gmx_mm_update_iforce_1atom_pd(&fix,&fiy,&fiz,faction+ii3,fshift+is3);
ggid = gid[n];
gmx_mm_update_1pot_pd(vctot,vc+ggid);
gmx_mm_update_1pot_pd(vgbtot,gpol+ggid);
gmx_mm_update_1pot_pd(dvdasum,dvda+ii);
gmx_mm_update_1pot_pd(vvdwtot,vvdw+ggid);
}
*outeriter = nri;
*inneriter = nj1;
}
// The input must be in domain [-1686629712, 1686629712].
//
// I tried to optimize the double to int conversion by using `magic`, but
// it was actually slower than using `_mm_cvttpd_epi32()` and it didn't
// offer greater domain for `x`.
static SIMD_INLINE __m128d sin_cephes_pd(__m128d x) {
SIMD_CONST_SQ(sign , SIMD_UINT64_C(0x8000000000000000));
SIMD_CONST_SQ(inv_sign , SIMD_UINT64_C(0x7FFFFFFFFFFFFFFF));
SIMD_CONST_SI(int32_one, 1);
SIMD_CONST_SD(4_DIV_PI , 1.27323954473516268615107010698);
SIMD_CONST_SD(DP1 , 7.85398125648498535156e-1);
SIMD_CONST_SD(DP2 , 3.77489470793079817668e-8);
SIMD_CONST_SD(DP3 , 2.69515142907905952645e-15);
#define DEFINE_DATA(name, x0, x1, x2, x3, x4, x5, xm, xa, y0, y1, y2, y3, y4, y5, ym, ya) \
SIMD_ALIGN_VAR(static const double, name[], 16) = { \
x0, x0, x1, x1, x2, x2, x3, x3, x4, x4, x5, x5, xm, xm, xa, xa, \
y0, x0, y1, x1, y2, x2, y3, x3, y4, x4, y5, x5, ym, xm, ya, xa, \
x0, y0, x1, y1, x2, y2, x3, y3, x4, y4, x5, y5, xm, ym, xa, ya, \
y0, y0, y1, y1, y2, y2, y3, y3, y4, y4, y5, y5, ym, ym, ya, ya \
}
DEFINE_DATA(sincos_coeff,
1.58962301576546568060e-10,-2.50507477628578072866e-8,
2.75573136213857245213e-6 ,-1.98412698295895385996e-4,
8.33333333332211858878e-3 ,-1.66666666666666307295e-1, 1.0, 0.0,
-1.13585365213876817300e-11, 2.08757008419747316778e-9,
-2.75573141792967388112e-7 , 2.48015872888517045348e-5,
-1.38888888888730564116e-3 , 4.16666666666665929218e-2,-0.5, 1.0);
__m128d y;
__m128d sign = x; // Sign bit.
x = _mm_and_pd(x, SIMD_GET_PD(inv_sign)); // Take the absolute value.
y = _mm_mul_pd(x, SIMD_GET_PD(4_DIV_PI)); // Integer part of `x * 4 / PI`.
__m128i ival = _mm_cvttpd_epi32(y); // Extract the integer part of y.
__m128i ione = SIMD_GET_PI(int32_one);
ival = _mm_add_epi32(ival, ione); // j += 1.
ival = _mm_andnot_si128(ione, ival); // j &=~1.
y = _mm_cvtepi32_pd(ival);
ival = _mm_unpacklo_epi32(ival, ival);
sign = _mm_xor_pd(sign, // Swap the sign bit if `j & 4`.
_mm_castsi128_pd(_mm_slli_epi64(ival, 61)));
sign = _mm_and_pd(sign, SIMD_GET_PD(sign)); // Keep only the sign bit.
// Get the polynom selection mask (j & 2):
// 1. `0x0000000000000000` => `0 <= x <= PI/4`
// 2. `0xFFFFFFFFFFFFFFFF` => `PI/4 < x <= PI/2`
ival = _mm_slli_epi32(ival, 30);
ival = _mm_srai_epi32(ival, 31);
// Extended precision modular arithmetic:
// x = ((x - y * DP1) - y * DP2) - y * DP3
x = _mm_sub_pd(x, _mm_mul_pd(y, SIMD_GET_PD(DP1)));
x = _mm_sub_pd(x, _mm_mul_pd(y, SIMD_GET_PD(DP2)));
x = _mm_sub_pd(x, _mm_mul_pd(y, SIMD_GET_PD(DP3)));
// Get the polynom coefficients for each lane (sin/cos).
__m128d poly_mask = _mm_castsi128_pd(ival);
const __m128d* coeff = reinterpret_cast<const __m128d*>(sincos_coeff) +
static_cast<uintptr_t>(_mm_movemask_pd(poly_mask)) * 8;
__m128d xx = _mm_mul_pd(x, x);
y = coeff[0];
y = Simd128::mad(y, xx, coeff[1]);
y = Simd128::mad(y, xx, coeff[2]);
y = Simd128::mad(y, xx, coeff[3]);
y = Simd128::mad(y, xx, coeff[4]);
y = Simd128::mad(y, xx, coeff[5]);
y = _mm_mul_pd(y, xx);
__m128d x_or_xx = _mm_or_pd(
_mm_and_pd(xx, poly_mask),
_mm_andnot_pd(poly_mask, x));
y = _mm_mul_pd(y, x_or_xx);
y = _mm_add_pd(y, _mm_mul_pd(x_or_xx, coeff[6]));
y = _mm_add_pd(y, coeff[7]);
return _mm_xor_pd(y, sign);
}