/* -------------------------------------------------------------------------- * * 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) 2009 Stanford University and the Authors. * * Authors: Chris Sweet * * Contributors: Christopher Bruns * * * * 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 "OpenMM.h" #include "ReferenceNMLKernelFactory.h" using namespace OpenMM; using namespace std; extern "C" void OPENMM_EXPORT registerPlatforms() { cout << "calling NML registerPlatforms()..." << endl; } extern "C" void OPENMM_EXPORT registerKernelFactories() { cout << "Initializing Normal Mode Langevin OpenMM plugin..." << endl; for (int p = 0; p < Platform::getNumPlatforms(); ++p) { cout << "Platform " << p << " name = " << Platform::getPlatform(p).getName() << endl; } // Only register cuda kernels if cuda platform is found cout << "NML looking for Cuda plugin..." << endl; try { Platform& platform = Platform::getPlatformByName("Cuda"); cout << "NML found Cuda platform..." << endl; // platform.registerKernelFactory("CudaNMLKernelFactory", new CudaNMLKernelFactory()); } catch (const std::exception& exc) { // non fatal cout << "NML Cuda platform not found. " << exc.what() << endl; } cout << "NML looking for Reference plugin..." << endl; try { Platform& platform = Platform::getPlatformByName("Reference"); cout << "NML found Reference platform..." << endl; ReferenceNMLKernelFactory* factory = new ReferenceNMLKernelFactory(); platform.registerKernelFactory("IntegrateNMLStep", factory); } catch (const std::exception& exc) { // non fatal cout << "NML Reference platform not found. " << exc.what() << endl; } }