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40 #include <gtest/gtest.h>
42 #include "gromacs/math/utilities.h"
43 #include "gromacs/simd/simd.h"
44 #include "gromacs/utility/basedefinitions.h"
46 #include "testutils/testasserts.h"
59 /*! \addtogroup module_simd */
62 // Since these functions are mostly wrappers for similar standard library
63 // functions, we typically just test 1-2 values to make sure we call the right
66 /******************************************
67 * Default floating-point precision tests *
68 ******************************************/
70 TEST(SimdScalarMathTest, copysign)
72 EXPECT_EQ(real(-c1), copysign(real(c1), real(-c2)));
73 EXPECT_EQ(real(c2), copysign(real(c2), real(c3)));
76 TEST(SimdScalarMathTest, invsqrtPair)
83 invsqrtPair(x0, x1, &out0, &out1);
85 EXPECT_EQ(invsqrt(x0), out0);
86 EXPECT_EQ(invsqrt(x1), out1);
89 TEST(SimdScalarMathTest, inv)
93 EXPECT_EQ(real(1.0) / x0, inv(x0));
96 TEST(SimdScalarMathTest, maskzInvsqrt)
100 EXPECT_EQ(invsqrt(x0), maskzInvsqrt(x0, true));
101 EXPECT_EQ(real(0), maskzInvsqrt(x0, false));
104 TEST(SimdScalarMathTest, log)
108 EXPECT_EQ(std::log(x0), log(x0));
111 TEST(SimdScalarMathTest, exp2)
115 EXPECT_EQ(std::exp2(x0), exp2(x0));
118 TEST(SimdScalarMathTest, exp)
122 EXPECT_EQ(std::exp(x0), exp(x0));
125 TEST(SimdScalarMathTest, erf)
129 EXPECT_EQ(std::erf(x0), erf(x0));
132 TEST(SimdScalarMathTest, erfc)
136 EXPECT_EQ(std::erfc(x0), erfc(x0));
139 TEST(SimdScalarMathTest, sincos)
146 EXPECT_EQ(std::sin(x0), s);
147 EXPECT_EQ(std::cos(x0), c);
150 TEST(SimdScalarMathTest, sin)
154 EXPECT_EQ(std::sin(x0), sin(x0));
157 TEST(SimdScalarMathTest, cos)
161 EXPECT_EQ(std::cos(x0), cos(x0));
164 TEST(SimdScalarMathTest, tan)
168 EXPECT_EQ(std::tan(x0), tan(x0));
172 TEST(SimdScalarMathTest, asin)
176 EXPECT_EQ(std::asin(x0), asin(x0));
179 TEST(SimdScalarMathTest, acos)
183 EXPECT_EQ(std::acos(x0), acos(x0));
186 TEST(SimdScalarMathTest, atan)
190 EXPECT_EQ(std::atan(x0), atan(x0));
193 TEST(SimdScalarMathTest, atan2)
196 real y = std::sqrt(c0);
199 EXPECT_EQ(std::atan2(y, x), atan2(y, x));
202 TEST(SimdScalarMathTest, pmeForceCorrection)
206 // Calculate reference value for z2!=0
207 real z = std::sqrt(z2);
208 real ref = 2.0 * std::exp(-z2) / (std::sqrt(M_PI) * z2) - std::erf(z) / (z2 * z);
210 // Pme correction only needs to be ~1e-6 accuracy single, 1e-10 double
212 FloatingPointTolerance tolerance(relativeToleranceAsFloatingPoint(1.0, 5e-10));
214 FloatingPointTolerance tolerance(relativeToleranceAsFloatingPoint(1.0, 5e-6));
217 EXPECT_REAL_EQ_TOL(ref, pmeForceCorrection(z2), tolerance);
220 TEST(SimdScalarMathTest, pmePotentialCorrection)
224 // Calculate reference value for z2!=0
225 real z = std::sqrt(z2);
226 real ref = std::erf(z) / z;
228 // Pme correction only needs to be ~1e-6 accuracy single, 1e-10 double
230 FloatingPointTolerance tolerance(relativeToleranceAsFloatingPoint(1.0, 5e-10));
232 FloatingPointTolerance tolerance(relativeToleranceAsFloatingPoint(1.0, 5e-6));
235 EXPECT_REAL_EQ_TOL(ref, pmePotentialCorrection(z2), tolerance);
238 /*******************************************
239 * Double precision, single accuracy tests *
240 *******************************************/
242 TEST(SimdScalarMathTest, invsqrtPairSingleAccuracy)
249 invsqrtPairSingleAccuracy(x0, x1, &out0, &out1);
251 EXPECT_EQ(invsqrt(static_cast<float>(x0)), static_cast<float>(out0));
252 EXPECT_EQ(invsqrt(static_cast<float>(x1)), static_cast<float>(out1));
255 TEST(SimdScalarMathTest, invSingleAccuracy)
259 EXPECT_EQ(1.0F / static_cast<float>(x0), static_cast<float>(invSingleAccuracy(x0)));
262 TEST(SimdScalarMathTest, maskzInvsqrtSingleAccuracy)
266 EXPECT_EQ(invsqrt(static_cast<float>(x0)), static_cast<float>(maskzInvsqrtSingleAccuracy(x0, true)));
267 EXPECT_EQ(0.0F, static_cast<float>(maskzInvsqrtSingleAccuracy(x0, false)));
270 TEST(SimdScalarMathTest, logSingleAccuracy)
274 EXPECT_EQ(std::log(static_cast<float>(x0)), static_cast<float>(logSingleAccuracy(x0)));
277 TEST(SimdScalarMathTest, exp2SingleAccuracy)
281 EXPECT_EQ(std::exp2(static_cast<float>(x0)), static_cast<float>(exp2SingleAccuracy(x0)));
284 TEST(SimdScalarMathTest, expSingleAccuracy)
288 EXPECT_EQ(std::exp(static_cast<float>(x0)), static_cast<float>(expSingleAccuracy(x0)));
291 TEST(SimdScalarMathTest, erfSingleAccuracy)
295 EXPECT_EQ(std::erf(static_cast<float>(x0)), static_cast<float>(erfSingleAccuracy(x0)));
298 TEST(SimdScalarMathTest, erfcSingleAccuracy)
302 EXPECT_EQ(std::erfc(static_cast<float>(x0)), static_cast<float>(erfcSingleAccuracy(x0)));
305 TEST(SimdScalarMathTest, sincosSingleAccuracy)
310 sincosSingleAccuracy(x0, &s, &c);
312 EXPECT_EQ(std::sin(static_cast<float>(x0)), static_cast<float>(s));
313 EXPECT_EQ(std::cos(static_cast<float>(x0)), static_cast<float>(c));
316 TEST(SimdScalarMathTest, sinSingleAccuracy)
320 EXPECT_EQ(std::sin(static_cast<float>(x0)), static_cast<float>(sinSingleAccuracy(x0)));
323 TEST(SimdScalarMathTest, cosSingleAccuracy)
327 EXPECT_EQ(std::cos(static_cast<float>(x0)), static_cast<float>(cosSingleAccuracy(x0)));
330 TEST(SimdScalarMathTest, tanSingleAccuracy)
334 EXPECT_EQ(std::tan(static_cast<float>(x0)), static_cast<float>(tanSingleAccuracy(x0)));
338 TEST(SimdScalarMathTest, asinSingleAccuracy)
342 EXPECT_EQ(std::asin(static_cast<float>(x0)), static_cast<float>(asinSingleAccuracy(x0)));
345 TEST(SimdScalarMathTest, acosSingleAccuracy)
349 EXPECT_EQ(std::acos(static_cast<float>(x0)), static_cast<float>(acosSingleAccuracy(x0)));
352 TEST(SimdScalarMathTest, atanSingleAccuracy)
356 EXPECT_EQ(std::atan(static_cast<float>(x0)), static_cast<float>(atanSingleAccuracy(x0)));
359 TEST(SimdScalarMathTest, atan2SingleAccuracy)
362 double y = std::sqrt(c0);
365 EXPECT_EQ(std::atan2(static_cast<float>(y), static_cast<float>(x)),
366 static_cast<float>(atan2SingleAccuracy(y, x)));
369 TEST(SimdScalarMathTest, pmeForceCorrectionSingleAccuracy)
373 // Calculate reference value for z2!=0 in single precision
374 float z = std::sqrt(static_cast<float>(z2));
375 float ref = 2.0 * std::exp(static_cast<float>(-z2)) / (std::sqrt(static_cast<float>(M_PI)) * z2)
376 - std::erf(z) / (z2 * z);
378 // Pme correction only needs to be ~1e-6 accuracy single
379 FloatingPointTolerance tolerance(relativeToleranceAsFloatingPoint(1.0, 5e-6));
381 EXPECT_REAL_EQ_TOL(ref, static_cast<float>(pmeForceCorrectionSingleAccuracy(z2)), tolerance);
384 TEST(SimdScalarMathTest, pmePotentialCorrectionSingleAccuracy)
388 // Calculate reference value for z2!=0 in single precision
389 float z = std::sqrt(static_cast<float>(z2));
390 float ref = std::erf(z) / z;
392 // Pme correction only needs to be ~1e-6 accuracy single
393 FloatingPointTolerance tolerance(relativeToleranceAsFloatingPoint(1.0, 5e-6));
395 EXPECT_REAL_EQ_TOL(ref, static_cast<float>(pmePotentialCorrectionSingleAccuracy(z2)), tolerance);
399 /*! \endcond internal */