/* -------------------------------------------------------------------------- * * OpenMMDrude * * -------------------------------------------------------------------------- * * 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) 2011-2019 Stanford University and the Authors. * * Portions copyright (c) 2021 Advanced Micro Devices, Inc. * * Authors: 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 #include "HipDrudeKernelFactory.h" #include "CommonDrudeKernels.h" #include "HipContext.h" #include "openmm/internal/windowsExport.h" #include "openmm/internal/ContextImpl.h" #include "openmm/OpenMMException.h" using namespace OpenMM; extern "C" OPENMM_EXPORT void registerPlatforms() { } extern "C" OPENMM_EXPORT void registerKernelFactories() { try { Platform& platform = Platform::getPlatformByName("HIP"); HipDrudeKernelFactory* factory = new HipDrudeKernelFactory(); platform.registerKernelFactory(CalcDrudeForceKernel::Name(), factory); platform.registerKernelFactory(IntegrateDrudeLangevinStepKernel::Name(), factory); platform.registerKernelFactory(IntegrateDrudeSCFStepKernel::Name(), factory); } catch (std::exception ex) { // Ignore } } extern "C" OPENMM_EXPORT void registerDrudeHipKernelFactories() { try { Platform::getPlatformByName("HIP"); } catch (...) { Platform::registerPlatform(new HipPlatform()); } registerKernelFactories(); } KernelImpl* HipDrudeKernelFactory::createKernelImpl(std::string name, const Platform& platform, ContextImpl& context) const { HipContext& cu = *static_cast(context.getPlatformData())->contexts[0]; if (name == CalcDrudeForceKernel::Name()) return new CommonCalcDrudeForceKernel(name, platform, cu); if (name == IntegrateDrudeLangevinStepKernel::Name()) return new CommonIntegrateDrudeLangevinStepKernel(name, platform, cu); if (name == IntegrateDrudeSCFStepKernel::Name()) return new CommonIntegrateDrudeSCFStepKernel(name, platform, cu); throw OpenMMException((std::string("Tried to create kernel with illegal kernel name '")+name+"'").c_str()); }