/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
#ifndef GMX_SIMD_MATH_AVX_128_FMA_SINGLE_H
#define GMX_SIMD_MATH_AVX_128_FMA_SINGLE_H
-#include <immintrin.h> /* AVX */
-#ifdef HAVE_X86INTRIN_H
-#include <x86intrin.h> /* FMA */
-#endif
-#ifdef HAVE_INTRIN_H
-#include <intrin.h> /* FMA MSVC */
-#endif
-
-#include <math.h>
-
-#include "general_x86_avx_128_fma.h"
-
-
-#ifndef M_PI
-# define M_PI 3.14159265358979323846264338327950288
-#endif
-
-
-
-
-/************************
- * *
- * Simple math routines *
- * *
- ************************/
-
-/* 1.0/sqrt(x) */
-static gmx_inline __m128
-gmx_mm_invsqrt_ps(__m128 x)
-{
- const __m128 half = _mm_set1_ps(0.5);
- const __m128 one = _mm_set1_ps(1.0);
-
- __m128 lu = _mm_rsqrt_ps(x);
-
- return _mm_macc_ps(_mm_nmacc_ps(x, _mm_mul_ps(lu, lu), one), _mm_mul_ps(lu, half), lu);
-}
-
-/* sqrt(x) - Do NOT use this (but rather invsqrt) if you actually need 1.0/sqrt(x) */
-static gmx_inline __m128
-gmx_mm_sqrt_ps(__m128 x)
-{
- __m128 mask;
- __m128 res;
-
- mask = _mm_cmp_ps(x, _mm_setzero_ps(), _CMP_EQ_OQ);
- res = _mm_andnot_ps(mask, gmx_mm_invsqrt_ps(x));
-
- res = _mm_mul_ps(x, res);
-
- return res;
-}
-
-/* 1.0/x */
-static gmx_inline __m128
-gmx_mm_inv_ps(__m128 x)
-{
- const __m128 two = _mm_set1_ps(2.0);
-
- __m128 lu = _mm_rcp_ps(x);
-
- return _mm_mul_ps(lu, _mm_nmacc_ps(lu, x, two));
-}
-
-static gmx_inline __m128
-gmx_mm_abs_ps(__m128 x)
-{
- const __m128 signmask = gmx_mm_castsi128_ps( _mm_set1_epi32(0x7FFFFFFF) );
-
- return _mm_and_ps(x, signmask);
-}
-
-static __m128
-gmx_mm_log_ps(__m128 x)
-{
- /* Same algorithm as cephes library */
- const __m128 expmask = gmx_mm_castsi128_ps( _mm_set_epi32(0x7F800000, 0x7F800000, 0x7F800000, 0x7F800000) );
- const __m128i expbase_m1 = _mm_set1_epi32(127-1); /* We want non-IEEE format */
- const __m128 half = _mm_set1_ps(0.5f);
- const __m128 one = _mm_set1_ps(1.0f);
- const __m128 invsq2 = _mm_set1_ps(1.0f/sqrt(2.0f));
- const __m128 corr1 = _mm_set1_ps(-2.12194440e-4f);
- const __m128 corr2 = _mm_set1_ps(0.693359375f);
-
- const __m128 CA_1 = _mm_set1_ps(0.070376836292f);
- const __m128 CB_0 = _mm_set1_ps(1.6714950086782716f);
- const __m128 CB_1 = _mm_set1_ps(-2.452088066061482f);
- const __m128 CC_0 = _mm_set1_ps(1.5220770854701728f);
- const __m128 CC_1 = _mm_set1_ps(-1.3422238433233642f);
- const __m128 CD_0 = _mm_set1_ps(1.386218787509749f);
- const __m128 CD_1 = _mm_set1_ps(0.35075468953796346f);
- const __m128 CE_0 = _mm_set1_ps(1.3429983063133937f);
- const __m128 CE_1 = _mm_set1_ps(1.807420826584643f);
-
- __m128 fexp, fexp1;
- __m128i iexp;
- __m128 mask;
- __m128 x1, x2;
- __m128 y;
- __m128 pA, pB, pC, pD, pE, tB, tC, tD, tE;
-
- /* Separate x into exponent and mantissa, with a mantissa in the range [0.5..1[ (not IEEE754 standard!) */
- fexp = _mm_and_ps(x, expmask);
- iexp = gmx_mm_castps_si128(fexp);
- iexp = _mm_srli_epi32(iexp, 23);
- iexp = _mm_sub_epi32(iexp, expbase_m1);
-
- x = _mm_andnot_ps(expmask, x);
- x = _mm_or_ps(x, one);
- x = _mm_mul_ps(x, half);
-
- mask = _mm_cmp_ps(x, invsq2, _CMP_LT_OQ);
-
- x = _mm_add_ps(x, _mm_and_ps(mask, x));
- x = _mm_sub_ps(x, one);
- iexp = _mm_add_epi32(iexp, gmx_mm_castps_si128(mask)); /* 0xFFFFFFFF = -1 as int */
-
- x2 = _mm_mul_ps(x, x);
-
- pA = _mm_mul_ps(CA_1, x);
-
- pB = _mm_add_ps(x, CB_1);
- pC = _mm_add_ps(x, CC_1);
- pD = _mm_add_ps(x, CD_1);
- pE = _mm_add_ps(x, CE_1);
-
- pB = _mm_macc_ps(x, pB, CB_0);
- pC = _mm_macc_ps(x, pC, CC_0);
- pD = _mm_macc_ps(x, pD, CD_0);
- pE = _mm_macc_ps(x, pE, CE_0);
-
- pA = _mm_mul_ps(pA, pB);
- pC = _mm_mul_ps(pC, pD);
- pE = _mm_mul_ps(pE, x2);
- pA = _mm_mul_ps(pA, pC);
- y = _mm_mul_ps(pA, pE);
-
- fexp = _mm_cvtepi32_ps(iexp);
- y = _mm_macc_ps(fexp, corr1, y);
- y = _mm_nmacc_ps(half, x2, y);
-
- x2 = _mm_add_ps(x, y);
- x2 = _mm_macc_ps(fexp, corr2, x2);
-
- return x2;
-}
-
-
-/*
- * 2^x function.
- *
- * The 2^w term is calculated from a (6,0)-th order (no denominator) Minimax polynomia on the interval
- * [-0.5,0.5]. The coefficiencts of this was derived in Mathematica using the command:
- *
- * MiniMaxApproximation[(2^x), {x, {-0.5, 0.5}, 6, 0}, WorkingPrecision -> 15]
- *
- * The largest-magnitude exponent we can represent in IEEE single-precision binary format
- * is 2^-126 for small numbers and 2^127 for large ones. To avoid wrap-around problems, we set the
- * result to zero if the argument falls outside this range. For small numbers this is just fine, but
- * for large numbers you could be fancy and return the smallest/largest IEEE single-precision
- * number instead. That would take a few extra cycles and not really help, since something is
- * wrong if you are using single precision to work with numbers that cannot really be represented
- * in single precision.
- *
- * The accuracy is at least 23 bits.
- */
-static __m128
-gmx_mm_exp2_ps(__m128 x)
-{
- /* Lower bound: We do not allow numbers that would lead to an IEEE fp representation exponent smaller than -126. */
- const __m128 arglimit = _mm_set1_ps(126.0f);
-
- const __m128i expbase = _mm_set1_epi32(127);
- const __m128 CA6 = _mm_set1_ps(1.535336188319500E-004);
- const __m128 CA5 = _mm_set1_ps(1.339887440266574E-003);
- const __m128 CA4 = _mm_set1_ps(9.618437357674640E-003);
- const __m128 CA3 = _mm_set1_ps(5.550332471162809E-002);
- const __m128 CA2 = _mm_set1_ps(2.402264791363012E-001);
- const __m128 CA1 = _mm_set1_ps(6.931472028550421E-001);
- const __m128 CA0 = _mm_set1_ps(1.0f);
-
- __m128 valuemask;
- __m128i iexppart;
- __m128 fexppart;
- __m128 intpart;
- __m128 x2;
- __m128 p0, p1;
-
- iexppart = _mm_cvtps_epi32(x);
- intpart = _mm_round_ps(x, _MM_FROUND_TO_NEAREST_INT);
- iexppart = _mm_slli_epi32(_mm_add_epi32(iexppart, expbase), 23);
- valuemask = _mm_cmp_ps(arglimit, gmx_mm_abs_ps(x), _CMP_GE_OQ);
- fexppart = _mm_and_ps(valuemask, gmx_mm_castsi128_ps(iexppart));
-
- x = _mm_sub_ps(x, intpart);
- x2 = _mm_mul_ps(x, x);
-
- p0 = _mm_macc_ps(CA6, x2, CA4);
- p1 = _mm_macc_ps(CA5, x2, CA3);
- p0 = _mm_macc_ps(p0, x2, CA2);
- p1 = _mm_macc_ps(p1, x2, CA1);
- p0 = _mm_macc_ps(p0, x2, CA0);
- p0 = _mm_macc_ps(p1, x, p0);
- x = _mm_mul_ps(p0, fexppart);
-
- return x;
-}
-
-
-/* Exponential function. This could be calculated from 2^x as Exp(x)=2^(y), where y=log2(e)*x,
- * but there will then be a small rounding error since we lose some precision due to the
- * multiplication. This will then be magnified a lot by the exponential.
- *
- * Instead, we calculate the fractional part directly as a minimax approximation of
- * Exp(z) on [-0.5,0.5]. We use extended precision arithmetics to calculate the fraction
- * remaining after 2^y, which avoids the precision-loss.
- * The final result is correct to within 1 LSB over the entire argument range.
- */
-static __m128
-gmx_mm_exp_ps(__m128 x)
-{
- const __m128 argscale = _mm_set1_ps(1.44269504088896341f);
- /* Lower bound: Disallow numbers that would lead to an IEEE fp exponent reaching +-127. */
- const __m128 arglimit = _mm_set1_ps(126.0f);
- const __m128i expbase = _mm_set1_epi32(127);
-
- const __m128 invargscale0 = _mm_set1_ps(0.693359375f);
- const __m128 invargscale1 = _mm_set1_ps(-2.12194440e-4f);
-
- const __m128 CC5 = _mm_set1_ps(1.9875691500e-4f);
- const __m128 CC4 = _mm_set1_ps(1.3981999507e-3f);
- const __m128 CC3 = _mm_set1_ps(8.3334519073e-3f);
- const __m128 CC2 = _mm_set1_ps(4.1665795894e-2f);
- const __m128 CC1 = _mm_set1_ps(1.6666665459e-1f);
- const __m128 CC0 = _mm_set1_ps(5.0000001201e-1f);
- const __m128 one = _mm_set1_ps(1.0f);
-
- __m128 y, x2;
- __m128 p0, p1;
- __m128 valuemask;
- __m128i iexppart;
- __m128 fexppart;
- __m128 intpart;
-
- y = _mm_mul_ps(x, argscale);
-
- iexppart = _mm_cvtps_epi32(y);
- intpart = _mm_round_ps(y, _MM_FROUND_TO_NEAREST_INT);
-
- iexppart = _mm_slli_epi32(_mm_add_epi32(iexppart, expbase), 23);
- valuemask = _mm_cmp_ps(arglimit, gmx_mm_abs_ps(y), _CMP_GE_OQ);
- fexppart = _mm_and_ps(valuemask, gmx_mm_castsi128_ps(iexppart));
-
- /* Extended precision arithmetics */
- x = _mm_nmacc_ps(invargscale0, intpart, x);
- x = _mm_nmacc_ps(invargscale1, intpart, x);
-
- x2 = _mm_mul_ps(x, x);
-
- p1 = _mm_macc_ps(CC5, x2, CC3);
- p0 = _mm_macc_ps(CC4, x2, CC2);
- p1 = _mm_macc_ps(p1, x2, CC1);
- p0 = _mm_macc_ps(p0, x2, CC0);
- p0 = _mm_macc_ps(p1, x, p0);
- p0 = _mm_macc_ps(p0, x2, one);
-
- x = _mm_add_ps(x, p0);
-
- x = _mm_mul_ps(x, fexppart);
-
- return x;
-}
-
-/* FULL precision. Only errors in LSB */
-static __m128
-gmx_mm_erf_ps(__m128 x)
-{
- /* Coefficients for minimax approximation of erf(x)=x*P(x^2) in range [-1,1] */
- const __m128 CA6 = _mm_set1_ps(7.853861353153693e-5f);
- const __m128 CA5 = _mm_set1_ps(-8.010193625184903e-4f);
- const __m128 CA4 = _mm_set1_ps(5.188327685732524e-3f);
- const __m128 CA3 = _mm_set1_ps(-2.685381193529856e-2f);
- const __m128 CA2 = _mm_set1_ps(1.128358514861418e-1f);
- const __m128 CA1 = _mm_set1_ps(-3.761262582423300e-1f);
- const __m128 CA0 = _mm_set1_ps(1.128379165726710f);
- /* Coefficients for minimax approximation of erfc(x)=Exp(-x^2)*P((1/(x-1))^2) in range [0.67,2] */
- const __m128 CB9 = _mm_set1_ps(-0.0018629930017603923f);
- const __m128 CB8 = _mm_set1_ps(0.003909821287598495f);
- const __m128 CB7 = _mm_set1_ps(-0.0052094582210355615f);
- const __m128 CB6 = _mm_set1_ps(0.005685614362160572f);
- const __m128 CB5 = _mm_set1_ps(-0.0025367682853477272f);
- const __m128 CB4 = _mm_set1_ps(-0.010199799682318782f);
- const __m128 CB3 = _mm_set1_ps(0.04369575504816542f);
- const __m128 CB2 = _mm_set1_ps(-0.11884063474674492f);
- const __m128 CB1 = _mm_set1_ps(0.2732120154030589f);
- const __m128 CB0 = _mm_set1_ps(0.42758357702025784f);
- /* Coefficients for minimax approximation of erfc(x)=Exp(-x^2)*(1/x)*P((1/x)^2) in range [2,9.19] */
- const __m128 CC10 = _mm_set1_ps(-0.0445555913112064f);
- const __m128 CC9 = _mm_set1_ps(0.21376355144663348f);
- const __m128 CC8 = _mm_set1_ps(-0.3473187200259257f);
- const __m128 CC7 = _mm_set1_ps(0.016690861551248114f);
- const __m128 CC6 = _mm_set1_ps(0.7560973182491192f);
- const __m128 CC5 = _mm_set1_ps(-1.2137903600145787f);
- const __m128 CC4 = _mm_set1_ps(0.8411872321232948f);
- const __m128 CC3 = _mm_set1_ps(-0.08670413896296343f);
- const __m128 CC2 = _mm_set1_ps(-0.27124782687240334f);
- const __m128 CC1 = _mm_set1_ps(-0.0007502488047806069f);
- const __m128 CC0 = _mm_set1_ps(0.5642114853803148f);
-
- /* Coefficients for expansion of exp(x) in [0,0.1] */
- /* CD0 and CD1 are both 1.0, so no need to declare them separately */
- const __m128 CD2 = _mm_set1_ps(0.5000066608081202f);
- const __m128 CD3 = _mm_set1_ps(0.1664795422874624f);
- const __m128 CD4 = _mm_set1_ps(0.04379839977652482f);
-
- const __m128 sieve = gmx_mm_castsi128_ps( _mm_set1_epi32(0xfffff000) );
- const __m128 signbit = gmx_mm_castsi128_ps( _mm_set1_epi32(0x80000000) );
- const __m128 one = _mm_set1_ps(1.0f);
- const __m128 two = _mm_set1_ps(2.0f);
-
- __m128 x2, x4, y;
- __m128 z, q, t, t2, w, w2;
- __m128 pA0, pA1, pB0, pB1, pC0, pC1;
- __m128 expmx2, corr;
- __m128 res_erf, res_erfc, res;
- __m128 mask;
-
- /* Calculate erf() */
- x2 = _mm_mul_ps(x, x);
- x4 = _mm_mul_ps(x2, x2);
-
- pA0 = _mm_macc_ps(CA6, x4, CA4);
- pA1 = _mm_macc_ps(CA5, x4, CA3);
- pA0 = _mm_macc_ps(pA0, x4, CA2);
- pA1 = _mm_macc_ps(pA1, x4, CA1);
- pA0 = _mm_mul_ps(pA0, x4);
- pA0 = _mm_macc_ps(pA1, x2, pA0);
- /* Constant term must come last for precision reasons */
- pA0 = _mm_add_ps(pA0, CA0);
-
- res_erf = _mm_mul_ps(x, pA0);
-
- /* Calculate erfc */
-
- y = gmx_mm_abs_ps(x);
- t = gmx_mm_inv_ps(y);
- w = _mm_sub_ps(t, one);
- t2 = _mm_mul_ps(t, t);
- w2 = _mm_mul_ps(w, w);
- /*
- * We cannot simply calculate exp(-x2) directly in single precision, since
- * that will lose a couple of bits of precision due to the multiplication.
- * Instead, we introduce x=z+w, where the last 12 bits of precision are in w.
- * Then we get exp(-x2) = exp(-z2)*exp((z-x)*(z+x)).
- *
- * The only drawback with this is that it requires TWO separate exponential
- * evaluations, which would be horrible performance-wise. However, the argument
- * for the second exp() call is always small, so there we simply use a
- * low-order minimax expansion on [0,0.1].
- */
-
- z = _mm_and_ps(y, sieve);
- q = _mm_mul_ps( _mm_sub_ps(z, y), _mm_add_ps(z, y) );
-
- corr = _mm_macc_ps(CD4, q, CD3);
- corr = _mm_macc_ps(corr, q, CD2);
- corr = _mm_macc_ps(corr, q, one);
- corr = _mm_macc_ps(corr, q, one);
-
- expmx2 = gmx_mm_exp_ps( _mm_or_ps( signbit, _mm_mul_ps(z, z) ) );
- expmx2 = _mm_mul_ps(expmx2, corr);
-
- pB1 = _mm_macc_ps(CB9, w2, CB7);
- pB0 = _mm_macc_ps(CB8, w2, CB6);
- pB1 = _mm_macc_ps(pB1, w2, CB5);
- pB0 = _mm_macc_ps(pB0, w2, CB4);
- pB1 = _mm_macc_ps(pB1, w2, CB3);
- pB0 = _mm_macc_ps(pB0, w2, CB2);
- pB1 = _mm_macc_ps(pB1, w2, CB1);
- pB0 = _mm_macc_ps(pB0, w2, CB0);
- pB0 = _mm_macc_ps(pB1, w, pB0);
-
- pC0 = _mm_macc_ps(CC10, t2, CC8);
- pC1 = _mm_macc_ps(CC9, t2, CC7);
- pC0 = _mm_macc_ps(pC0, t2, CC6);
- pC1 = _mm_macc_ps(pC1, t2, CC5);
- pC0 = _mm_macc_ps(pC0, t2, CC4);
- pC1 = _mm_macc_ps(pC1, t2, CC3);
- pC0 = _mm_macc_ps(pC0, t2, CC2);
- pC1 = _mm_macc_ps(pC1, t2, CC1);
-
- pC0 = _mm_macc_ps(pC0, t2, CC0);
- pC0 = _mm_macc_ps(pC1, t, pC0);
- pC0 = _mm_mul_ps(pC0, t);
-
- /* SELECT pB0 or pC0 for erfc() */
- mask = _mm_cmp_ps(two, y, _CMP_LT_OQ);
- res_erfc = _mm_blendv_ps(pB0, pC0, mask);
- res_erfc = _mm_mul_ps(res_erfc, expmx2);
-
- /* erfc(x<0) = 2-erfc(|x|) */
- mask = _mm_cmp_ps(x, _mm_setzero_ps(), _CMP_LT_OQ);
- res_erfc = _mm_blendv_ps(res_erfc, _mm_sub_ps(two, res_erfc), mask);
-
- /* Select erf() or erfc() */
- mask = _mm_cmp_ps(y, _mm_set1_ps(0.75f), _CMP_LT_OQ);
- res = _mm_blendv_ps(_mm_sub_ps(one, res_erfc), res_erf, mask);
-
- return res;
-}
-
-
-/* FULL precision. Only errors in LSB */
-static __m128
-gmx_mm_erfc_ps(__m128 x)
-{
- /* Coefficients for minimax approximation of erf(x)=x*P(x^2) in range [-1,1] */
- const __m128 CA6 = _mm_set1_ps(7.853861353153693e-5f);
- const __m128 CA5 = _mm_set1_ps(-8.010193625184903e-4f);
- const __m128 CA4 = _mm_set1_ps(5.188327685732524e-3f);
- const __m128 CA3 = _mm_set1_ps(-2.685381193529856e-2f);
- const __m128 CA2 = _mm_set1_ps(1.128358514861418e-1f);
- const __m128 CA1 = _mm_set1_ps(-3.761262582423300e-1f);
- const __m128 CA0 = _mm_set1_ps(1.128379165726710f);
- /* Coefficients for minimax approximation of erfc(x)=Exp(-x^2)*P((1/(x-1))^2) in range [0.67,2] */
- const __m128 CB9 = _mm_set1_ps(-0.0018629930017603923f);
- const __m128 CB8 = _mm_set1_ps(0.003909821287598495f);
- const __m128 CB7 = _mm_set1_ps(-0.0052094582210355615f);
- const __m128 CB6 = _mm_set1_ps(0.005685614362160572f);
- const __m128 CB5 = _mm_set1_ps(-0.0025367682853477272f);
- const __m128 CB4 = _mm_set1_ps(-0.010199799682318782f);
- const __m128 CB3 = _mm_set1_ps(0.04369575504816542f);
- const __m128 CB2 = _mm_set1_ps(-0.11884063474674492f);
- const __m128 CB1 = _mm_set1_ps(0.2732120154030589f);
- const __m128 CB0 = _mm_set1_ps(0.42758357702025784f);
- /* Coefficients for minimax approximation of erfc(x)=Exp(-x^2)*(1/x)*P((1/x)^2) in range [2,9.19] */
- const __m128 CC10 = _mm_set1_ps(-0.0445555913112064f);
- const __m128 CC9 = _mm_set1_ps(0.21376355144663348f);
- const __m128 CC8 = _mm_set1_ps(-0.3473187200259257f);
- const __m128 CC7 = _mm_set1_ps(0.016690861551248114f);
- const __m128 CC6 = _mm_set1_ps(0.7560973182491192f);
- const __m128 CC5 = _mm_set1_ps(-1.2137903600145787f);
- const __m128 CC4 = _mm_set1_ps(0.8411872321232948f);
- const __m128 CC3 = _mm_set1_ps(-0.08670413896296343f);
- const __m128 CC2 = _mm_set1_ps(-0.27124782687240334f);
- const __m128 CC1 = _mm_set1_ps(-0.0007502488047806069f);
- const __m128 CC0 = _mm_set1_ps(0.5642114853803148f);
-
- /* Coefficients for expansion of exp(x) in [0,0.1] */
- /* CD0 and CD1 are both 1.0, so no need to declare them separately */
- const __m128 CD2 = _mm_set1_ps(0.5000066608081202f);
- const __m128 CD3 = _mm_set1_ps(0.1664795422874624f);
- const __m128 CD4 = _mm_set1_ps(0.04379839977652482f);
-
- const __m128 sieve = gmx_mm_castsi128_ps( _mm_set1_epi32(0xfffff000) );
- const __m128 signbit = gmx_mm_castsi128_ps( _mm_set1_epi32(0x80000000) );
- const __m128 one = _mm_set1_ps(1.0f);
- const __m128 two = _mm_set1_ps(2.0f);
-
- __m128 x2, x4, y;
- __m128 z, q, t, t2, w, w2;
- __m128 pA0, pA1, pB0, pB1, pC0, pC1;
- __m128 expmx2, corr;
- __m128 res_erf, res_erfc, res;
- __m128 mask;
-
- /* Calculate erf() */
- x2 = _mm_mul_ps(x, x);
- x4 = _mm_mul_ps(x2, x2);
-
- pA0 = _mm_macc_ps(CA6, x4, CA4);
- pA1 = _mm_macc_ps(CA5, x4, CA3);
- pA0 = _mm_macc_ps(pA0, x4, CA2);
- pA1 = _mm_macc_ps(pA1, x4, CA1);
- pA1 = _mm_mul_ps(pA1, x2);
- pA0 = _mm_macc_ps(pA0, x4, pA1);
- /* Constant term must come last for precision reasons */
- pA0 = _mm_add_ps(pA0, CA0);
-
- res_erf = _mm_mul_ps(x, pA0);
-
- /* Calculate erfc */
- y = gmx_mm_abs_ps(x);
- t = gmx_mm_inv_ps(y);
- w = _mm_sub_ps(t, one);
- t2 = _mm_mul_ps(t, t);
- w2 = _mm_mul_ps(w, w);
- /*
- * We cannot simply calculate exp(-x2) directly in single precision, since
- * that will lose a couple of bits of precision due to the multiplication.
- * Instead, we introduce x=z+w, where the last 12 bits of precision are in w.
- * Then we get exp(-x2) = exp(-z2)*exp((z-x)*(z+x)).
- *
- * The only drawback with this is that it requires TWO separate exponential
- * evaluations, which would be horrible performance-wise. However, the argument
- * for the second exp() call is always small, so there we simply use a
- * low-order minimax expansion on [0,0.1].
- */
-
- z = _mm_and_ps(y, sieve);
- q = _mm_mul_ps( _mm_sub_ps(z, y), _mm_add_ps(z, y) );
-
- corr = _mm_macc_ps(CD4, q, CD3);
- corr = _mm_macc_ps(corr, q, CD2);
- corr = _mm_macc_ps(corr, q, one);
- corr = _mm_macc_ps(corr, q, one);
-
- expmx2 = gmx_mm_exp_ps( _mm_or_ps( signbit, _mm_mul_ps(z, z) ) );
- expmx2 = _mm_mul_ps(expmx2, corr);
-
- pB1 = _mm_macc_ps(CB9, w2, CB7);
- pB0 = _mm_macc_ps(CB8, w2, CB6);
- pB1 = _mm_macc_ps(pB1, w2, CB5);
- pB0 = _mm_macc_ps(pB0, w2, CB4);
- pB1 = _mm_macc_ps(pB1, w2, CB3);
- pB0 = _mm_macc_ps(pB0, w2, CB2);
- pB1 = _mm_macc_ps(pB1, w2, CB1);
- pB0 = _mm_macc_ps(pB0, w2, CB0);
- pB0 = _mm_macc_ps(pB1, w, pB0);
-
- pC0 = _mm_macc_ps(CC10, t2, CC8);
- pC1 = _mm_macc_ps(CC9, t2, CC7);
- pC0 = _mm_macc_ps(pC0, t2, CC6);
- pC1 = _mm_macc_ps(pC1, t2, CC5);
- pC0 = _mm_macc_ps(pC0, t2, CC4);
- pC1 = _mm_macc_ps(pC1, t2, CC3);
- pC0 = _mm_macc_ps(pC0, t2, CC2);
- pC1 = _mm_macc_ps(pC1, t2, CC1);
-
- pC0 = _mm_macc_ps(pC0, t2, CC0);
- pC0 = _mm_macc_ps(pC1, t, pC0);
- pC0 = _mm_mul_ps(pC0, t);
-
- /* SELECT pB0 or pC0 for erfc() */
- mask = _mm_cmp_ps(two, y, _CMP_LT_OQ);
- res_erfc = _mm_blendv_ps(pB0, pC0, mask);
- res_erfc = _mm_mul_ps(res_erfc, expmx2);
-
- /* erfc(x<0) = 2-erfc(|x|) */
- mask = _mm_cmp_ps(x, _mm_setzero_ps(), _CMP_LT_OQ);
- res_erfc = _mm_blendv_ps(res_erfc, _mm_sub_ps(two, res_erfc), mask);
-
- /* Select erf() or erfc() */
- mask = _mm_cmp_ps(y, _mm_set1_ps(0.75f), _CMP_LT_OQ);
- res = _mm_blendv_ps(res_erfc, _mm_sub_ps(one, res_erf), mask);
-
- return res;
-}
-
-
-/* Calculate the force correction due to PME analytically.
- *
- * This routine is meant to enable analytical evaluation of the
- * direct-space PME electrostatic force to avoid tables.
- *
- * The direct-space potential should be Erfc(beta*r)/r, but there
- * are some problems evaluating that:
- *
- * First, the error function is difficult (read: expensive) to
- * approxmiate accurately for intermediate to large arguments, and
- * this happens already in ranges of beta*r that occur in simulations.
- * Second, we now try to avoid calculating potentials in Gromacs but
- * use forces directly.
- *
- * We can simply things slight by noting that the PME part is really
- * a correction to the normal Coulomb force since Erfc(z)=1-Erf(z), i.e.
- *
- * V= 1/r - Erf(beta*r)/r
- *
- * The first term we already have from the inverse square root, so
- * that we can leave out of this routine.
- *
- * For pme tolerances of 1e-3 to 1e-8 and cutoffs of 0.5nm to 1.8nm,
- * the argument beta*r will be in the range 0.15 to ~4. Use your
- * favorite plotting program to realize how well-behaved Erf(z)/z is
- * in this range!
- *
- * We approximate f(z)=erf(z)/z with a rational minimax polynomial.
- * However, it turns out it is more efficient to approximate f(z)/z and
- * then only use even powers. This is another minor optimization, since
- * we actually WANT f(z)/z, because it is going to be multiplied by
- * the vector between the two atoms to get the vectorial force. The
- * fastest flops are the ones we can avoid calculating!
- *
- * So, here's how it should be used:
- *
- * 1. Calculate r^2.
- * 2. Multiply by beta^2, so you get z^2=beta^2*r^2.
- * 3. Evaluate this routine with z^2 as the argument.
- * 4. The return value is the expression:
- *
- *
- * 2*exp(-z^2) erf(z)
- * ------------ - --------
- * sqrt(Pi)*z^2 z^3
- *
- * 5. Multiply the entire expression by beta^3. This will get you
- *
- * beta^3*2*exp(-z^2) beta^3*erf(z)
- * ------------------ - ---------------
- * sqrt(Pi)*z^2 z^3
- *
- * or, switching back to r (z=r*beta):
- *
- * 2*beta*exp(-r^2*beta^2) erf(r*beta)
- * ----------------------- - -----------
- * sqrt(Pi)*r^2 r^3
- *
- *
- * With a bit of math exercise you should be able to confirm that
- * this is exactly D[Erf[beta*r]/r,r] divided by r another time.
- *
- * 6. Add the result to 1/r^3, multiply by the product of the charges,
- * and you have your force (divided by r). A final multiplication
- * with the vector connecting the two particles and you have your
- * vectorial force to add to the particles.
- *
- */
-static __m128
-gmx_mm_pmecorrF_ps(__m128 z2)
-{
- const __m128 FN6 = _mm_set1_ps(-1.7357322914161492954e-8f);
- const __m128 FN5 = _mm_set1_ps(1.4703624142580877519e-6f);
- const __m128 FN4 = _mm_set1_ps(-0.000053401640219807709149f);
- const __m128 FN3 = _mm_set1_ps(0.0010054721316683106153f);
- const __m128 FN2 = _mm_set1_ps(-0.019278317264888380590f);
- const __m128 FN1 = _mm_set1_ps(0.069670166153766424023f);
- const __m128 FN0 = _mm_set1_ps(-0.75225204789749321333f);
-
- const __m128 FD4 = _mm_set1_ps(0.0011193462567257629232f);
- const __m128 FD3 = _mm_set1_ps(0.014866955030185295499f);
- const __m128 FD2 = _mm_set1_ps(0.11583842382862377919f);
- const __m128 FD1 = _mm_set1_ps(0.50736591960530292870f);
- const __m128 FD0 = _mm_set1_ps(1.0f);
-
- __m128 z4;
- __m128 polyFN0, polyFN1, polyFD0, polyFD1;
-
- z4 = _mm_mul_ps(z2, z2);
-
- polyFD0 = _mm_macc_ps(FD4, z4, FD2);
- polyFD1 = _mm_macc_ps(FD3, z4, FD1);
- polyFD0 = _mm_macc_ps(polyFD0, z4, FD0);
- polyFD0 = _mm_macc_ps(polyFD1, z2, polyFD0);
-
- polyFD0 = gmx_mm_inv_ps(polyFD0);
-
- polyFN0 = _mm_macc_ps(FN6, z4, FN4);
- polyFN1 = _mm_macc_ps(FN5, z4, FN3);
- polyFN0 = _mm_macc_ps(polyFN0, z4, FN2);
- polyFN1 = _mm_macc_ps(polyFN1, z4, FN1);
- polyFN0 = _mm_macc_ps(polyFN0, z4, FN0);
- polyFN0 = _mm_macc_ps(polyFN1, z2, polyFN0);
-
- return _mm_mul_ps(polyFN0, polyFD0);
-}
-
-
-
-
-/* Calculate the potential correction due to PME analytically.
- *
- * See gmx_mm256_pmecorrF_ps() for details about the approximation.
- *
- * This routine calculates Erf(z)/z, although you should provide z^2
- * as the input argument.
- *
- * Here's how it should be used:
- *
- * 1. Calculate r^2.
- * 2. Multiply by beta^2, so you get z^2=beta^2*r^2.
- * 3. Evaluate this routine with z^2 as the argument.
- * 4. The return value is the expression:
- *
- *
- * erf(z)
- * --------
- * z
- *
- * 5. Multiply the entire expression by beta and switching back to r (z=r*beta):
- *
- * erf(r*beta)
- * -----------
- * r
- *
- * 6. Add the result to 1/r, multiply by the product of the charges,
- * and you have your potential.
- */
-static __m128
-gmx_mm_pmecorrV_ps(__m128 z2)
-{
- const __m128 VN6 = _mm_set1_ps(1.9296833005951166339e-8f);
- const __m128 VN5 = _mm_set1_ps(-1.4213390571557850962e-6f);
- const __m128 VN4 = _mm_set1_ps(0.000041603292906656984871f);
- const __m128 VN3 = _mm_set1_ps(-0.00013134036773265025626f);
- const __m128 VN2 = _mm_set1_ps(0.038657983986041781264f);
- const __m128 VN1 = _mm_set1_ps(0.11285044772717598220f);
- const __m128 VN0 = _mm_set1_ps(1.1283802385263030286f);
-
- const __m128 VD3 = _mm_set1_ps(0.0066752224023576045451f);
- const __m128 VD2 = _mm_set1_ps(0.078647795836373922256f);
- const __m128 VD1 = _mm_set1_ps(0.43336185284710920150f);
- const __m128 VD0 = _mm_set1_ps(1.0f);
-
- __m128 z4;
- __m128 polyVN0, polyVN1, polyVD0, polyVD1;
+#include "gromacs/simd/simd_math.h"
- z4 = _mm_mul_ps(z2, z2);
-
- polyVD1 = _mm_macc_ps(VD3, z4, VD1);
- polyVD0 = _mm_macc_ps(VD2, z4, VD0);
- polyVD0 = _mm_macc_ps(polyVD1, z2, polyVD0);
-
- polyVD0 = gmx_mm_inv_ps(polyVD0);
-
- polyVN0 = _mm_macc_ps(VN6, z4, VN4);
- polyVN1 = _mm_macc_ps(VN5, z4, VN3);
- polyVN0 = _mm_macc_ps(polyVN0, z4, VN2);
- polyVN1 = _mm_macc_ps(polyVN1, z4, VN1);
- polyVN0 = _mm_macc_ps(polyVN0, z4, VN0);
- polyVN0 = _mm_macc_ps(polyVN1, z2, polyVN0);
-
- return _mm_mul_ps(polyVN0, polyVD0);
-}
-
-
-
-static int
-gmx_mm_sincos_ps(__m128 x,
- __m128 *sinval,
- __m128 *cosval)
-{
- const __m128 two_over_pi = _mm_set1_ps(2.0/M_PI);
- const __m128 half = _mm_set1_ps(0.5);
- const __m128 one = _mm_set1_ps(1.0);
-
- const __m128i izero = _mm_set1_epi32(0);
- const __m128i ione = _mm_set1_epi32(1);
- const __m128i itwo = _mm_set1_epi32(2);
- const __m128i ithree = _mm_set1_epi32(3);
- const __m128 signbit = gmx_mm_castsi128_ps( _mm_set1_epi32(0x80000000) );
-
- const __m128 CA1 = _mm_set1_ps(1.5703125f);
- const __m128 CA2 = _mm_set1_ps(4.837512969970703125e-4f);
- const __m128 CA3 = _mm_set1_ps(7.54978995489188216e-8f);
-
- const __m128 CC0 = _mm_set1_ps(-0.0013602249f);
- const __m128 CC1 = _mm_set1_ps(0.0416566950f);
- const __m128 CC2 = _mm_set1_ps(-0.4999990225f);
- const __m128 CS0 = _mm_set1_ps(-0.0001950727f);
- const __m128 CS1 = _mm_set1_ps(0.0083320758f);
- const __m128 CS2 = _mm_set1_ps(-0.1666665247f);
-
- __m128 y, y2;
- __m128 z;
- __m128i iz;
- __m128i offset_sin, offset_cos;
- __m128 tmp1, tmp2;
- __m128 mask_sin, mask_cos;
- __m128 tmp_sin, tmp_cos;
-
- y = _mm_mul_ps(x, two_over_pi);
- y = _mm_add_ps(y, _mm_or_ps(_mm_and_ps(y, signbit), half));
-
- iz = _mm_cvttps_epi32(y);
- z = _mm_round_ps(y, _MM_FROUND_TO_ZERO);
-
- offset_sin = _mm_and_si128(iz, ithree);
- offset_cos = _mm_add_epi32(iz, ione);
-
- /* Extended precision arithmethic to achieve full precision */
- y = _mm_nmacc_ps(z, CA1, x);
- y = _mm_nmacc_ps(z, CA2, y);
- y = _mm_nmacc_ps(z, CA3, y);
-
- y2 = _mm_mul_ps(y, y);
-
- tmp1 = _mm_macc_ps(CC0, y2, CC1);
- tmp2 = _mm_macc_ps(CS0, y2, CS1);
- tmp1 = _mm_macc_ps(tmp1, y2, CC2);
- tmp2 = _mm_macc_ps(tmp2, y2, CS2);
-
- tmp1 = _mm_macc_ps(tmp1, y2, one);
-
- tmp2 = _mm_macc_ps(tmp2, _mm_mul_ps(y, y2), y);
-
- mask_sin = gmx_mm_castsi128_ps(_mm_cmpeq_epi32( _mm_and_si128(offset_sin, ione), izero));
- mask_cos = gmx_mm_castsi128_ps(_mm_cmpeq_epi32( _mm_and_si128(offset_cos, ione), izero));
-
- tmp_sin = _mm_blendv_ps(tmp1, tmp2, mask_sin);
- tmp_cos = _mm_blendv_ps(tmp1, tmp2, mask_cos);
-
- mask_sin = gmx_mm_castsi128_ps(_mm_cmpeq_epi32( _mm_and_si128(offset_sin, itwo), izero));
- mask_cos = gmx_mm_castsi128_ps(_mm_cmpeq_epi32( _mm_and_si128(offset_cos, itwo), izero));
-
- tmp1 = _mm_xor_ps(signbit, tmp_sin);
- tmp2 = _mm_xor_ps(signbit, tmp_cos);
-
- *sinval = _mm_blendv_ps(tmp1, tmp_sin, mask_sin);
- *cosval = _mm_blendv_ps(tmp2, tmp_cos, mask_cos);
-
- return 0;
-}
-
-/*
- * IMPORTANT: Do NOT call both sin & cos if you need both results, since each of them
- * will then call the sincos() routine and waste a factor 2 in performance!
- */
-static __m128
-gmx_mm_sin_ps(__m128 x)
-{
- __m128 s, c;
- gmx_mm_sincos_ps(x, &s, &c);
- return s;
-}
-
-/*
- * IMPORTANT: Do NOT call both sin & cos if you need both results, since each of them
- * will then call the sincos() routine and waste a factor 2 in performance!
+/* Temporary:
+ * Alias some old SSE definitions to new SIMD definitions so we don't need
+ * to modify _all_ group kernels - they will anyway be replaced with a new
+ * generic SIMD version soon.
*/
-static __m128
-gmx_mm_cos_ps(__m128 x)
-{
- __m128 s, c;
- gmx_mm_sincos_ps(x, &s, &c);
- return c;
-}
-
-
-static __m128
-gmx_mm_tan_ps(__m128 x)
-{
- __m128 sinval, cosval;
- __m128 tanval;
-
- gmx_mm_sincos_ps(x, &sinval, &cosval);
-
- tanval = _mm_mul_ps(sinval, gmx_mm_inv_ps(cosval));
-
- return tanval;
-}
-
-
-static __m128
-gmx_mm_asin_ps(__m128 x)
-{
- /* Same algorithm as cephes library */
- const __m128 signmask = gmx_mm_castsi128_ps( _mm_set1_epi32(0x7FFFFFFF) );
- const __m128 limitlow = _mm_set1_ps(1e-4f);
- const __m128 half = _mm_set1_ps(0.5f);
- const __m128 one = _mm_set1_ps(1.0f);
- const __m128 halfpi = _mm_set1_ps(M_PI/2.0f);
-
- const __m128 CC5 = _mm_set1_ps(4.2163199048E-2f);
- const __m128 CC4 = _mm_set1_ps(2.4181311049E-2f);
- const __m128 CC3 = _mm_set1_ps(4.5470025998E-2f);
- const __m128 CC2 = _mm_set1_ps(7.4953002686E-2f);
- const __m128 CC1 = _mm_set1_ps(1.6666752422E-1f);
-
- __m128 sign;
- __m128 mask;
- __m128 xabs;
- __m128 z, z1, z2, q, q1, q2;
- __m128 pA, pB;
-
- sign = _mm_andnot_ps(signmask, x);
- xabs = _mm_and_ps(x, signmask);
-
- mask = _mm_cmp_ps(xabs, half, _CMP_GT_OQ);
-
- z1 = _mm_mul_ps(half, _mm_sub_ps(one, xabs));
- q1 = _mm_mul_ps(z1, gmx_mm_invsqrt_ps(z1));
- q1 = _mm_andnot_ps(_mm_cmp_ps(xabs, one, _CMP_EQ_OQ), q1);
-
- q2 = xabs;
- z2 = _mm_mul_ps(q2, q2);
-
- z = _mm_or_ps( _mm_and_ps(mask, z1), _mm_andnot_ps(mask, z2) );
- q = _mm_or_ps( _mm_and_ps(mask, q1), _mm_andnot_ps(mask, q2) );
-
- z2 = _mm_mul_ps(z, z);
-
- pA = _mm_macc_ps(CC5, z2, CC3);
- pB = _mm_macc_ps(CC4, z2, CC2);
-
- pA = _mm_macc_ps(pA, z2, CC1);
- pA = _mm_mul_ps(pA, z);
-
- z = _mm_macc_ps(pB, z2, pA);
-
- z = _mm_macc_ps(z, q, q);
-
- q2 = _mm_sub_ps(halfpi, z);
- q2 = _mm_sub_ps(q2, z);
-
- z = _mm_or_ps( _mm_and_ps(mask, q2), _mm_andnot_ps(mask, z) );
-
- mask = _mm_cmp_ps(xabs, limitlow, _CMP_GT_OQ);
- z = _mm_or_ps( _mm_and_ps(mask, z), _mm_andnot_ps(mask, xabs) );
-
- z = _mm_xor_ps(z, sign);
-
- return z;
-}
-
-
-static __m128
-gmx_mm_acos_ps(__m128 x)
-{
- const __m128 signmask = gmx_mm_castsi128_ps( _mm_set1_epi32(0x7FFFFFFF) );
- const __m128 one_ps = _mm_set1_ps(1.0f);
- const __m128 half_ps = _mm_set1_ps(0.5f);
- const __m128 pi_ps = _mm_set1_ps(M_PI);
- const __m128 halfpi_ps = _mm_set1_ps(M_PI/2.0f);
-
- __m128 mask1;
- __m128 mask2;
- __m128 xabs;
- __m128 z, z1, z2, z3;
-
- xabs = _mm_and_ps(x, signmask);
- mask1 = _mm_cmp_ps(xabs, half_ps, _CMP_GT_OQ);
- mask2 = _mm_cmp_ps(x, _mm_setzero_ps(), _CMP_GT_OQ);
-
- z = _mm_mul_ps(half_ps, _mm_sub_ps(one_ps, xabs));
- z = _mm_mul_ps(z, gmx_mm_invsqrt_ps(z));
- z = _mm_andnot_ps(_mm_cmp_ps(xabs, one_ps, _CMP_EQ_OQ), z);
-
- z = _mm_blendv_ps(x, z, mask1);
- z = gmx_mm_asin_ps(z);
-
- z2 = _mm_add_ps(z, z);
- z1 = _mm_sub_ps(pi_ps, z2);
- z3 = _mm_sub_ps(halfpi_ps, z);
-
- z = _mm_blendv_ps(z1, z2, mask2);
- z = _mm_blendv_ps(z3, z, mask1);
-
- return z;
-}
-
-
-static __m128
-gmx_mm_atan_ps(__m128 x)
-{
- /* Same algorithm as cephes library */
- const __m128 signmask = gmx_mm_castsi128_ps( _mm_set1_epi32(0x7FFFFFFF) );
- const __m128 limit1 = _mm_set1_ps(0.414213562373095f);
- const __m128 limit2 = _mm_set1_ps(2.414213562373095f);
- const __m128 quarterpi = _mm_set1_ps(0.785398163397448f);
- const __m128 halfpi = _mm_set1_ps(1.570796326794896f);
- const __m128 mone = _mm_set1_ps(-1.0f);
- const __m128 CC3 = _mm_set1_ps(-3.33329491539E-1f);
- const __m128 CC5 = _mm_set1_ps(1.99777106478E-1f);
- const __m128 CC7 = _mm_set1_ps(-1.38776856032E-1);
- const __m128 CC9 = _mm_set1_ps(8.05374449538e-2f);
-
- __m128 sign;
- __m128 mask1, mask2;
- __m128 y, z1, z2;
- __m128 x2, x4;
- __m128 sum1, sum2;
-
- sign = _mm_andnot_ps(signmask, x);
- x = _mm_and_ps(x, signmask);
-
- mask1 = _mm_cmp_ps(x, limit1, _CMP_GT_OQ);
- mask2 = _mm_cmp_ps(x, limit2, _CMP_GT_OQ);
-
- z1 = _mm_mul_ps(_mm_add_ps(x, mone), gmx_mm_inv_ps(_mm_sub_ps(x, mone)));
- z2 = _mm_mul_ps(mone, gmx_mm_inv_ps(x));
-
- y = _mm_and_ps(mask1, quarterpi);
- y = _mm_blendv_ps(y, halfpi, mask2);
-
- x = _mm_blendv_ps(x, z1, mask1);
- x = _mm_blendv_ps(x, z2, mask2);
-
- x2 = _mm_mul_ps(x, x);
- x4 = _mm_mul_ps(x2, x2);
-
- sum1 = _mm_macc_ps(CC9, x4, CC5);
- sum2 = _mm_macc_ps(CC7, x4, CC3);
- sum1 = _mm_mul_ps(sum1, x4);
- sum1 = _mm_macc_ps(sum2, x2, sum1);
-
- sum1 = _mm_sub_ps(sum1, mone);
- y = _mm_macc_ps(sum1, x, y);
-
- y = _mm_xor_ps(y, sign);
-
- return y;
-}
-
-
-static __m128
-gmx_mm_atan2_ps(__m128 y, __m128 x)
-{
- const __m128 pi = _mm_set1_ps(M_PI);
- const __m128 minuspi = _mm_set1_ps(-M_PI);
- const __m128 halfpi = _mm_set1_ps(M_PI/2.0);
- const __m128 minushalfpi = _mm_set1_ps(-M_PI/2.0);
-
- __m128 z, z1, z3, z4;
- __m128 w;
- __m128 maskx_lt, maskx_eq;
- __m128 masky_lt, masky_eq;
- __m128 mask1, mask2, mask3, mask4, maskall;
-
- maskx_lt = _mm_cmp_ps(x, _mm_setzero_ps(), _CMP_LT_OQ);
- masky_lt = _mm_cmp_ps(y, _mm_setzero_ps(), _CMP_LT_OQ);
- maskx_eq = _mm_cmp_ps(x, _mm_setzero_ps(), _CMP_EQ_OQ);
- masky_eq = _mm_cmp_ps(y, _mm_setzero_ps(), _CMP_EQ_OQ);
-
- z = _mm_mul_ps(y, gmx_mm_inv_ps(x));
- z = gmx_mm_atan_ps(z);
-
- mask1 = _mm_and_ps(maskx_eq, masky_lt);
- mask2 = _mm_andnot_ps(maskx_lt, masky_eq);
- mask3 = _mm_andnot_ps( _mm_or_ps(masky_lt, masky_eq), maskx_eq);
- mask4 = _mm_and_ps(masky_eq, maskx_lt);
-
- maskall = _mm_or_ps( _mm_or_ps(mask1, mask2), _mm_or_ps(mask3, mask4) );
-
- z = _mm_andnot_ps(maskall, z);
- z1 = _mm_and_ps(mask1, minushalfpi);
- z3 = _mm_and_ps(mask3, halfpi);
- z4 = _mm_and_ps(mask4, pi);
-
- z = _mm_or_ps( _mm_or_ps(z, z1), _mm_or_ps(z3, z4) );
-
- mask1 = _mm_andnot_ps(masky_lt, maskx_lt);
- mask2 = _mm_and_ps(maskx_lt, masky_lt);
-
- w = _mm_or_ps( _mm_and_ps(mask1, pi), _mm_and_ps(mask2, minuspi) );
- w = _mm_andnot_ps(maskall, w);
-
- z = _mm_add_ps(z, w);
-
- return z;
-}
-
+#define gmx_mm_invsqrt_ps gmx_simd_invsqrt_f
+#define gmx_mm_inv_ps gmx_simd_inv_f
+#define gmx_mm_log_ps gmx_simd_log_f
+#define gmx_mm_pmecorrF_ps gmx_simd_pmecorrF_f
+#define gmx_mm_pmecorrV_ps gmx_simd_pmecorrV_f
+#define gmx_mm_sincos_ps gmx_simd_sincos_f
#endif
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff