/* -------------------------------------------------------------------------- * * 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) 2008-2016 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 sorting. */ #include "openmm/internal/AssertionUtilities.h" #include "CudaArray.h" #include "CudaContext.h" #include "CudaSort.h" #include "sfmt/SFMT.h" #include "openmm/System.h" #include #include #include using namespace OpenMM; using namespace std; CudaPlatform platform; class SortTrait : public CudaSort::SortTrait { int getDataSize() const {return 4;} int getKeySize() const {return 4;} const char* getDataType() const {return "float";} const char* getKeyType() const {return "float";} const char* getMinKey() const {return "-3.40282e+38f";} const char* getMaxKey() const {return "3.40282e+38f";} const char* getMaxValue() const {return "3.40282e+38f";} const char* getSortKey() const {return "value";} }; void verifySorting(vector array) { // Sort the array. System system; system.addParticle(0.0); CudaPlatform::PlatformData platformData(NULL, system, "", "true", platform.getPropertyDefaultValue("CudaPrecision"), "false", platform.getPropertyDefaultValue(CudaPlatform::CudaCompiler()), platform.getPropertyDefaultValue(CudaPlatform::CudaTempDirectory()), platform.getPropertyDefaultValue(CudaPlatform::CudaHostCompiler()), platform.getPropertyDefaultValue(CudaPlatform::CudaDisablePmeStream()), "false", 1, NULL); CudaContext& context = *platformData.contexts[0]; context.initialize(); CudaArray data(context, array.size(), 4, "sortData"); data.upload(array); CudaSort sort(context, new SortTrait(), array.size()); sort.sort(data); vector sorted; data.download(sorted); // Verify that it is in sorted order. for (int i = 1; i < (int) sorted.size(); i++) ASSERT(sorted[i-1] <= sorted[i]); // Make sure the sorted array contains the same values as the original one. multiset elements1(array.begin(), array.end()); multiset elements2(sorted.begin(), sorted.end()); ASSERT(elements1 == elements2); } void testUniformValues() { OpenMM_SFMT::SFMT sfmt; init_gen_rand(0, sfmt); vector array(10000); for (int i = 0; i < (int) array.size(); i++) array[i] = (float) genrand_real2(sfmt); verifySorting(array); } void testLogValues() { OpenMM_SFMT::SFMT sfmt; init_gen_rand(0, sfmt); vector array(10000); for (int i = 0; i < (int) array.size(); i++) array[i] = (float) log(genrand_real2(sfmt)); verifySorting(array); } void testShortList() { OpenMM_SFMT::SFMT sfmt; init_gen_rand(0, sfmt); vector array(500); for (int i = 0; i < (int) array.size(); i++) array[i] = (float) log(genrand_real2(sfmt)); verifySorting(array); } int main(int argc, char* argv[]) { try { if (argc > 1) platform.setPropertyDefaultValue("CudaPrecision", string(argv[1])); testUniformValues(); testLogValues(); testShortList(); } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }