#ifndef OPENMM_VECTORIZE_SSE_H_ #define OPENMM_VECTORIZE_SSE_H_ /* -------------------------------------------------------------------------- * * OpenMM * * -------------------------------------------------------------------------- * * This is part of the OpenMM molecular simulation toolkit originating from * * Simbios, the NIH National Center for Physics-Based Simulation of * * Biological Structures at Stanford, funded under the NIH Roadmap for * * Medical Research, grant U54 GM072970. See https://simtk.org. * * * * Portions copyright (c) 2013 Stanford University and the Authors. * * Authors: Peter Eastman * * Contributors: * * * * Permission is hereby granted, free of charge, to any person obtaining a * * copy of this software and associated documentation files (the "Software"), * * to deal in the Software without restriction, including without limitation * * the rights to use, copy, modify, merge, publish, distribute, sublicense, * * and/or sell copies of the Software, and to permit persons to whom the * * Software is furnished to do so, subject to the following conditions: * * * * The above copyright notice and this permission notice shall be included in * * all copies or substantial portions of the Software. * * * * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL * * THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, * * DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR * * OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE * * USE OR OTHER DEALINGS IN THE SOFTWARE. * * -------------------------------------------------------------------------- */ #include #include "hardware.h" // This file defines classes and functions to simplify vectorizing code with SSE. // These two functions are defined in the vecmath library, which is linked into OpenMM. __m128 exp_ps(__m128); __m128 log_ps(__m128); /** * Determine whether ivec4 and fvec4 are supported on this processor. */ static bool isVec4Supported() { int cpuInfo[4]; cpuid(cpuInfo, 0); if (cpuInfo[0] >= 1) { cpuid(cpuInfo, 1); return ((cpuInfo[2] & ((int) 1 << 19)) != 0); } return false; } class ivec4; /** * A four element vector of floats. */ class fvec4 { public: __m128 val; fvec4() {} fvec4(float v) : val(_mm_set1_ps(v)) {} fvec4(float v1, float v2, float v3, float v4) : val(_mm_set_ps(v4, v3, v2, v1)) {} fvec4(__m128 v) : val(v) {} fvec4(const float* v) : val(_mm_loadu_ps(v)) {} operator __m128() const { return val; } float operator[](int i) const { float result[4]; store(result); return result[i]; } void store(float* v) const { _mm_storeu_ps(v, val); } fvec4 operator+(const fvec4& other) const { return _mm_add_ps(val, other); } fvec4 operator-(const fvec4& other) const { return _mm_sub_ps(val, other); } fvec4 operator*(const fvec4& other) const { return _mm_mul_ps(val, other); } fvec4 operator/(const fvec4& other) const { return _mm_div_ps(val, other); } void operator+=(const fvec4& other) { val = _mm_add_ps(val, other); } void operator-=(const fvec4& other) { val = _mm_sub_ps(val, other); } void operator*=(const fvec4& other) { val = _mm_mul_ps(val, other); } void operator/=(const fvec4& other) { val = _mm_div_ps(val, other); } fvec4 operator-() const { return _mm_sub_ps(_mm_set1_ps(0.0f), val); } fvec4 operator&(const fvec4& other) const { return _mm_and_ps(val, other); } fvec4 operator|(const fvec4& other) const { return _mm_or_ps(val, other); } fvec4 operator==(const fvec4& other) const { return _mm_cmpeq_ps(val, other); } fvec4 operator!=(const fvec4& other) const { return _mm_cmpneq_ps(val, other); } fvec4 operator>(const fvec4& other) const { return _mm_cmpgt_ps(val, other); } fvec4 operator<(const fvec4& other) const { return _mm_cmplt_ps(val, other); } fvec4 operator>=(const fvec4& other) const { return _mm_cmpge_ps(val, other); } fvec4 operator<=(const fvec4& other) const { return _mm_cmple_ps(val, other); } operator ivec4() const; }; /** * A four element vector of ints. */ class ivec4 { public: __m128i val; ivec4() {} ivec4(int v) : val(_mm_set1_epi32(v)) {} ivec4(int v1, int v2, int v3, int v4) : val(_mm_set_epi32(v4, v3, v2, v1)) {} ivec4(__m128i v) : val(v) {} ivec4(const int* v) : val(_mm_loadu_si128((const __m128i*) v)) {} operator __m128i() const { return val; } int operator[](int i) const { int result[4]; store(result); return result[i]; } void store(int* v) const { _mm_storeu_si128((__m128i*) v, val); } ivec4 operator+(const ivec4& other) const { return _mm_add_epi32(val, other); } ivec4 operator-(const ivec4& other) const { return _mm_sub_epi32(val, other); } ivec4 operator*(const ivec4& other) const { return _mm_mullo_epi32(val, other); } void operator+=(const ivec4& other) { val = _mm_add_epi32(val, other); } void operator-=(const ivec4& other) { val = _mm_sub_epi32(val, other); } void operator*=(const ivec4& other) { val = _mm_mullo_epi32(val, other); } ivec4 operator-() const { return _mm_sub_epi32(_mm_set1_epi32(0), val); } ivec4 operator&(const ivec4& other) const { return _mm_and_si128(val, other); } ivec4 operator|(const ivec4& other) const { return _mm_or_si128(val, other); } ivec4 operator==(const ivec4& other) const { return _mm_cmpeq_epi32(val, other); } ivec4 operator!=(const ivec4& other) const { return _mm_xor_si128(*this==other, _mm_set1_epi32(0xFFFFFFFF)); } ivec4 operator>(const ivec4& other) const { return _mm_cmpgt_epi32(val, other); } ivec4 operator<(const ivec4& other) const { return _mm_cmplt_epi32(val, other); } ivec4 operator>=(const ivec4& other) const { return _mm_xor_si128(_mm_cmplt_epi32(val, other), _mm_set1_epi32(0xFFFFFFFF)); } ivec4 operator<=(const ivec4& other) const { return _mm_xor_si128(_mm_cmpgt_epi32(val, other), _mm_set1_epi32(0xFFFFFFFF)); } operator fvec4() const; }; // Conversion operators. inline fvec4::operator ivec4() const { return _mm_cvttps_epi32(val); } inline ivec4::operator fvec4() const { return _mm_cvtepi32_ps(val); } // Functions that operate on fvec4s. static inline fvec4 floor(const fvec4& v) { return fvec4(_mm_floor_ps(v.val)); } static inline fvec4 ceil(const fvec4& v) { return fvec4(_mm_ceil_ps(v.val)); } static inline fvec4 round(const fvec4& v) { return fvec4(_mm_round_ps(v.val, _MM_FROUND_TO_NEAREST_INT)); } static inline fvec4 min(const fvec4& v1, const fvec4& v2) { return fvec4(_mm_min_ps(v1.val, v2.val)); } static inline fvec4 max(const fvec4& v1, const fvec4& v2) { return fvec4(_mm_max_ps(v1.val, v2.val)); } static inline fvec4 abs(const fvec4& v) { static const __m128 mask = _mm_castsi128_ps(_mm_set1_epi32(0x7FFFFFFF)); return fvec4(_mm_and_ps(v.val, mask)); } static inline fvec4 sqrt(const fvec4& v) { return fvec4(_mm_sqrt_ps(v.val)); } static inline fvec4 rsqrt(const fvec4& v) { // Initial estimate of rsqrt(). fvec4 y(_mm_rsqrt_ps(v.val)); // Perform an iteration of Newton refinement. fvec4 x2 = v*0.5f; y *= fvec4(1.5f)-x2*y*y; return y; } static inline fvec4 exp(const fvec4& v) { return fvec4(exp_ps(v.val)); } static inline fvec4 log(const fvec4& v) { return fvec4(log_ps(v.val)); } static inline float dot3(const fvec4& v1, const fvec4& v2) { return _mm_cvtss_f32(_mm_dp_ps(v1, v2, 0x71)); } static inline float dot4(const fvec4& v1, const fvec4& v2) { return _mm_cvtss_f32(_mm_dp_ps(v1, v2, 0xF1)); } static inline fvec4 cross(const fvec4& v1, const fvec4& v2) { fvec4 temp = fvec4(_mm_mul_ps(v1, _mm_shuffle_ps(v2, v2, _MM_SHUFFLE(3, 0, 2, 1)))) - fvec4(_mm_mul_ps(v2, _mm_shuffle_ps(v1, v1, _MM_SHUFFLE(3, 0, 2, 1)))); return _mm_shuffle_ps(temp, temp, _MM_SHUFFLE(3, 0, 2, 1)); } static inline void transpose(fvec4& v1, fvec4& v2, fvec4& v3, fvec4& v4) { _MM_TRANSPOSE4_PS(v1, v2, v3, v4); } // Functions that operate on ivec4s. static inline ivec4 min(const ivec4& v1, const ivec4& v2) { return ivec4(_mm_min_epi32(v1.val, v2.val)); } static inline ivec4 max(const ivec4& v1, const ivec4& v2) { return ivec4(_mm_max_epi32(v1.val, v2.val)); } static inline ivec4 abs(const ivec4& v) { return ivec4(_mm_abs_epi32(v.val)); } static inline bool any(const ivec4& v) { return !_mm_test_all_zeros(v, _mm_set1_epi32(0xFFFFFFFF)); } // Mathematical operators involving a scalar and a vector. static inline fvec4 operator+(float v1, const fvec4& v2) { return fvec4(v1)+v2; } static inline fvec4 operator-(float v1, const fvec4& v2) { return fvec4(v1)-v2; } static inline fvec4 operator*(float v1, const fvec4& v2) { return fvec4(v1)*v2; } static inline fvec4 operator/(float v1, const fvec4& v2) { return fvec4(v1)/v2; } // Operations for blending fvec4s based on an ivec4. static inline fvec4 blend(const fvec4& v1, const fvec4& v2, const ivec4& mask) { return fvec4(_mm_blendv_ps(v1.val, v2.val, _mm_castsi128_ps(mask.val))); } #endif /*OPENMM_VECTORIZE_SSE_H_*/