Introduce SimulatorBuilder
[gromacs.git] / src / gromacs / simd / tests / simd4_math.cpp
blob5ae601e32a952c6722b5b610996512b98547db8e
1 /*
2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 2014,2015,2018, by the GROMACS development team, led by
5 * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
6 * and including many others, as listed in the AUTHORS file in the
7 * top-level source directory and at http://www.gromacs.org.
9 * GROMACS is free software; you can redistribute it and/or
10 * modify it under the terms of the GNU Lesser General Public License
11 * as published by the Free Software Foundation; either version 2.1
12 * of the License, or (at your option) any later version.
14 * GROMACS is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
17 * Lesser General Public License for more details.
19 * You should have received a copy of the GNU Lesser General Public
20 * License along with GROMACS; if not, see
21 * http://www.gnu.org/licenses, or write to the Free Software Foundation,
22 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
24 * If you want to redistribute modifications to GROMACS, please
25 * consider that scientific software is very special. Version
26 * control is crucial - bugs must be traceable. We will be happy to
27 * consider code for inclusion in the official distribution, but
28 * derived work must not be called official GROMACS. Details are found
29 * in the README & COPYING files - if they are missing, get the
30 * official version at http://www.gromacs.org.
32 * To help us fund GROMACS development, we humbly ask that you cite
33 * the research papers on the package. Check out http://www.gromacs.org.
35 #include "gmxpre.h"
37 #include "config.h"
39 #include <cmath>
40 #include <cstdint>
42 #include <vector>
44 #include "gromacs/math/utilities.h"
45 #include "gromacs/options/basicoptions.h"
46 #include "gromacs/simd/simd.h"
47 #include "gromacs/simd/simd_math.h"
49 #include "simd4.h"
51 #if GMX_SIMD
53 namespace gmx
55 namespace test
58 /*! \cond internal */
59 /*! \addtogroup module_simd */
60 /*! \{ */
62 #if GMX_SIMD4_HAVE_REAL
64 class Simd4MathTest : public Simd4Test
66 public:
67 ::testing::AssertionResult
68 compareSimd4MathFunction(const char * refFuncExpr, const char *simd4FuncExpr,
69 real refFunc(real x), Simd4Real gmx_simdcall simd4Func(Simd4Real x));
72 /*! \brief Test approximate equality of SIMD4 vs reference version of a function.
74 * This macro takes vanilla C and SIMD flavors of a function and tests it with
75 * the number of points, range, and tolerances specified by the test fixture class.
77 #define GMX_EXPECT_SIMD4_FUNC_NEAR(refFunc, tstFunc) \
78 EXPECT_PRED_FORMAT2(compareSimd4MathFunction, refFunc, tstFunc)
81 /*! \brief Implementation routine to compare SIMD4 vs reference functions.
83 * \param refFuncExpr Description of reference function expression
84 * \param simd4FuncExpr Description of SIMD function expression
85 * \param refFunc Reference math function pointer
86 * \param simd4Func SIMD math function pointer
88 * The function will be tested with the range and tolerances specified in
89 * the SimdBaseTest class. You should not never call this function directly,
90 * but use the macro GMX_EXPECT_SIMD4_FUNC_NEAR(refFunc,tstFunc) instead.
92 ::testing::AssertionResult
93 Simd4MathTest::compareSimd4MathFunction(const char * refFuncExpr, const char *simd4FuncExpr,
94 real refFunc(real x), Simd4Real gmx_simdcall simd4Func(Simd4Real x))
96 std::vector<real> vx(GMX_SIMD4_WIDTH);
97 std::vector<real> vref(GMX_SIMD4_WIDTH);
98 std::vector<real> vtst(GMX_SIMD4_WIDTH);
99 real dx;
100 std::int64_t ulpDiff, maxUlpDiff;
101 real maxUlpDiffPos;
102 real refValMaxUlpDiff, simdValMaxUlpDiff;
103 int niter = s_nPoints/GMX_SIMD4_WIDTH;
104 int npoints = niter*GMX_SIMD4_WIDTH;
105 # if GMX_DOUBLE
106 union {
107 double r; std::int64_t i;
108 } conv0, conv1;
109 # else
110 union {
111 float r; std::int32_t i;
112 } conv0, conv1;
113 # endif
115 maxUlpDiff = 0;
116 dx = (range_.second-range_.first)/npoints;
118 for (int iter = 0; iter < niter; iter++)
120 for (int i = 0; i < GMX_SIMD4_WIDTH; i++)
122 vx[i] = range_.first+dx*(iter*GMX_SIMD4_WIDTH+i);
123 vref[i] = refFunc(vx[i]);
125 vtst = simd4Real2Vector(simd4Func(vector2Simd4Real(vx)));
127 bool eq = true, signOk = true;
128 for (int i = 0; i < GMX_SIMD4_WIDTH && eq; i++)
130 eq = eq && ( std::abs(vref[i]-vtst[i]) < absTol_ );
131 signOk = signOk && ( vref[i]*vtst[i] >= 0 );
133 if (eq)
135 // Go to next point if everything within absolute tolerance
136 continue;
138 else if (!signOk)
140 return ::testing::AssertionFailure()
141 << "Failing SIMD4 math function comparison due to sign differences." << std::endl
142 << "Reference function: " << refFuncExpr << std::endl
143 << "Simd function: " << simd4FuncExpr << std::endl
144 << "Test range is ( " << range_.first << " , " << range_.second << " ) " << std::endl
145 << "First sign difference around x=" << std::setprecision(20) << ::testing::PrintToString(vx) << std::endl
146 << "Ref values: " << std::setprecision(20) << ::testing::PrintToString(vref) << std::endl
147 << "SIMD4 values: " << std::setprecision(20) << ::testing::PrintToString(vtst) << std::endl;
149 /* We replicate the trivial ulp differences comparison here rather than
150 * calling the lower-level routine for comparing them, since this enables
151 * us to run through the entire test range and report the largest deviation
152 * without lots of extra glue routines.
154 for (int i = 0; i < GMX_SIMD4_WIDTH; i++)
156 conv0.r = vref[i];
157 conv1.r = vtst[i];
158 ulpDiff = llabs(conv0.i-conv1.i);
159 if (ulpDiff > maxUlpDiff)
161 maxUlpDiff = ulpDiff;
162 maxUlpDiffPos = vx[i];
163 refValMaxUlpDiff = vref[i];
164 simdValMaxUlpDiff = vtst[i];
168 GMX_RELEASE_ASSERT(ulpTol_ >= 0, "Invalid ulp value.");
169 if (maxUlpDiff <= ulpTol_)
171 return ::testing::AssertionSuccess();
173 else
175 return ::testing::AssertionFailure()
176 << "Failing SIMD4 math function ulp comparison between " << refFuncExpr << " and " << simd4FuncExpr << std::endl
177 << "Requested ulp tolerance: " << ulpTol_ << std::endl
178 << "Requested abs tolerance: " << absTol_ << std::endl
179 << "Largest Ulp difference occurs for x=" << std::setprecision(20) << maxUlpDiffPos << std::endl
180 << "Ref values: " << std::setprecision(20) << refValMaxUlpDiff << std::endl
181 << "SIMD4 values: " << std::setprecision(20) << simdValMaxUlpDiff << std::endl
182 << "Ulp diff.: " << std::setprecision(20) << maxUlpDiff << std::endl;
186 /*! \} */
187 /*! \endcond */
189 // Actual math function tests below
191 namespace
194 /*! \cond internal */
195 /*! \addtogroup module_simd */
196 /*! \{ */
198 /*! \brief Function wrapper to evaluate reference 1/sqrt(x) */
199 real
200 refInvsqrt(real x)
202 return 1.0/std::sqrt(x);
205 TEST_F(Simd4MathTest, invsqrt)
207 setRange(1e-10, 1e10);
208 GMX_EXPECT_SIMD4_FUNC_NEAR(refInvsqrt, invsqrt);
211 TEST_F(Simd4MathTest, invsqrtSingleaccuracy)
213 setRange(1e-10, 1e10);
214 /* Increase the allowed error by the difference between the actual precision and single */
215 setUlpTolSingleAccuracy(ulpTol_);
216 GMX_EXPECT_SIMD4_FUNC_NEAR(refInvsqrt, invsqrtSingleAccuracy);
219 } // namespace
221 #endif // GMX_SIMD4_HAVE_REAL
223 /*! \} */
224 /*! \endcond */
226 } // namespace test
227 } // namespace gmx
229 #endif // GMX_SIMD