/* -------------------------------------------------------------------------- * * 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) 2008 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. * * -------------------------------------------------------------------------- */ /** * This tests the Cuda implementation of random number generation. */ #include "../../../tests/AssertionUtilities.h" #include "../src/kernels/gputypes.h" #include "../src/kernels/cudaKernels.h" #include using namespace OpenMM; using namespace std; static const float KILO = 1e3; // Thousand static const float BOLTZMANN = 1.380658e-23f; // (J/K) static const float AVOGADRO = 6.0221367e23f; // () static const float RGAS = BOLTZMANN * AVOGADRO; // (J/(mol K)) static const float BOLTZ = (RGAS / KILO); // (kJ/(mol K)) void testGaussian() { _gpuContext* gpu = (_gpuContext*) gpuInit(1000); gpu->sim.Yv = 1.0; gpu->sim.Yx = 1.0; gpu->sim.V = 1.0; gpu->sim.X = 1.0; gpuSetConstants(gpu); kGenerateRandoms(gpu); const int numValues = 4*gpu->psRandom4->_length; gpu->psRandom4->Download(); float* data = reinterpret_cast(gpu->psRandom4->_pSysData); double mean = 0.0; double var = 0.0; double skew = 0.0; double kurtosis = 0.0; for (int i = 0; i < numValues; i++) { double value = data[i]; mean += value; var += value*value; skew += value*value*value; kurtosis += value*value*value*value; } gpuShutDown(gpu); mean /= numValues; var /= numValues; skew /= numValues; kurtosis /= numValues; double c2 = var-mean*mean; double c3 = skew-3*var*mean+2*mean*mean*mean; double c4 = kurtosis-4*skew*mean-3*var*var+12*var*mean*mean-6*mean*mean*mean*mean; ASSERT_EQUAL_TOL(0.0, mean, 0.01); ASSERT_EQUAL_TOL(1.0, c2, 0.01); ASSERT_EQUAL_TOL(0.0, c3, 0.01); ASSERT_EQUAL_TOL(0.0, c4, 0.01); } int main() { try { testGaussian(); } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }