/* -------------------------------------------------------------------------- * * OpenMMAmoeba * * -------------------------------------------------------------------------- * * 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) 2008-2021 Stanford University and the Authors. * * Authors: Mark Friedrichs, Peter Eastman * * Contributors: * * * * This program is free software: you can redistribute it and/or modify * * it under the terms of the GNU Lesser General Public License as published * * by the Free Software Foundation, either version 3 of the License, or * * (at your option) any later version. * * * * This program is distributed in the hope that it will be useful, * * but WITHOUT ANY WARRANTY; without even the implied warranty of * * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * * GNU Lesser General Public License for more details. * * * * You should have received a copy of the GNU Lesser General Public License * * along with this program. If not, see . * * -------------------------------------------------------------------------- */ #include "AmoebaOpenCLKernelFactory.h" #include "AmoebaOpenCLKernels.h" #include "AmoebaCommonKernels.h" #include "OpenCLContext.h" #include "OpenCLPlatform.h" #include "openmm/internal/ContextImpl.h" #include "openmm/OpenMMException.h" #include "openmm/internal/windowsExport.h" using namespace OpenMM; #ifdef OPENMM_BUILDING_STATIC_LIBRARY static void registerPlatforms() { #else extern "C" OPENMM_EXPORT void registerPlatforms() { #endif } #ifdef OPENMM_BUILDING_STATIC_LIBRARY static void registerKernelFactories() { #else extern "C" OPENMM_EXPORT void registerKernelFactories() { #endif try { Platform& platform = Platform::getPlatformByName("OpenCL"); AmoebaOpenCLKernelFactory* factory = new AmoebaOpenCLKernelFactory(); platform.registerKernelFactory(CalcAmoebaTorsionTorsionForceKernel::Name(), factory); platform.registerKernelFactory(CalcAmoebaMultipoleForceKernel::Name(), factory); platform.registerKernelFactory(CalcAmoebaGeneralizedKirkwoodForceKernel::Name(), factory); platform.registerKernelFactory(CalcAmoebaVdwForceKernel::Name(), factory); platform.registerKernelFactory(CalcAmoebaWcaDispersionForceKernel::Name(), factory); platform.registerKernelFactory(CalcHippoNonbondedForceKernel::Name(), factory); } catch (...) { // Ignore. The OpenCL platform isn't available. } } extern "C" OPENMM_EXPORT void registerAmoebaOpenCLKernelFactories() { try { Platform::getPlatformByName("OpenCL"); } catch (...) { Platform::registerPlatform(new OpenCLPlatform()); } registerKernelFactories(); } KernelImpl* AmoebaOpenCLKernelFactory::createKernelImpl(std::string name, const Platform& platform, ContextImpl& context) const { OpenCLPlatform::PlatformData& data = *static_cast(context.getPlatformData()); OpenCLContext& cc = *data.contexts[0]; if (name == CalcAmoebaTorsionTorsionForceKernel::Name()) return new CommonCalcAmoebaTorsionTorsionForceKernel(name, platform, cc, context.getSystem()); if (name == CalcAmoebaMultipoleForceKernel::Name()) return new OpenCLCalcAmoebaMultipoleForceKernel(name, platform, cc, context.getSystem()); if (name == CalcAmoebaGeneralizedKirkwoodForceKernel::Name()) return new CommonCalcAmoebaGeneralizedKirkwoodForceKernel(name, platform, cc, context.getSystem()); if (name == CalcAmoebaVdwForceKernel::Name()) return new CommonCalcAmoebaVdwForceKernel(name, platform, cc, context.getSystem()); if (name == CalcAmoebaWcaDispersionForceKernel::Name()) return new CommonCalcAmoebaWcaDispersionForceKernel(name, platform, cc, context.getSystem()); if (name == CalcHippoNonbondedForceKernel::Name()) return new OpenCLCalcHippoNonbondedForceKernel(name, platform, cc, context.getSystem()); throw OpenMMException((std::string("Tried to create kernel with illegal kernel name '")+name+"'").c_str()); }