#ifndef OPENMM_OPENCLPLATFORM_H_ #define OPENMM_OPENCLPLATFORM_H_ /* -------------------------------------------------------------------------- * * 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: * * * * 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 "openmm/Platform.h" struct _gpuContext; namespace OpenMM { class OpenCLContext; /** * This Platform subclass uses OpenCL implementations of the OpenMM kernels. */ class OPENMM_EXPORT OpenCLPlatform : public Platform { public: class PlatformData; OpenCLPlatform(); const std::string& getName() const { static const std::string name = "OpenCL"; return name; } double getSpeed() const { return 0; // TODO Increase this. Currently set to 0 so it will never be selected automatically. } bool supportsDoublePrecision() const; const std::string& getPropertyValue(const Context& context, const std::string& property) const; void setPropertyValue(Context& context, const std::string& property, const std::string& value) const; void contextCreated(ContextImpl& context, const std::map& properties) const; void contextDestroyed(ContextImpl& context) const; /** * This is the name of the parameter for selecting which OpenCL device to use. */ static const std::string& OpenCLDeviceIndex() { static const std::string key = "OpenCLDeviceIndex"; return key; } }; class OpenCLPlatform::PlatformData { public: PlatformData(int numParticles, int deviceIndex); ~PlatformData(); OpenCLContext* context; bool removeCM; int cmMotionFrequency; int stepCount, computeForceCount; double time; std::map propertyValues; }; } // namespace OpenMM #endif /*OPENMM_OPENCLPLATFORM_H_*/