#ifndef OPENMM_CUDAPLATFORM_H_ #define OPENMM_CUDAPLATFORM_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: * * * * 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 "Platform.h" #include "CudaStreamFactory.h" class _gpuContext; namespace OpenMM { class KernelImpl; /** * This Platform subclass uses CUDA implementations of the OpenMM kernels to run on NVidia GPUs. */ class OPENMM_EXPORT CudaPlatform : public Platform { public: class PlatformData; CudaPlatform(); std::string getName() const { return "Cuda"; } double getSpeed() const { return 100; } bool supportsDoublePrecision() const; const StreamFactory& getDefaultStreamFactory() const; void contextCreated(OpenMMContextImpl& context) const; void contextDestroyed(OpenMMContextImpl& context) const; private: CudaStreamFactory defaultStreamFactory; }; class CudaPlatform::PlatformData { public: PlatformData(_gpuContext* gpu) : gpu(gpu), removeCM(false), useOBC(false), hasBonds(false), hasAngles(false), hasPeriodicTorsions(false), hasRB(false), hasNonbonded(false), primaryKernel(NULL) { } _gpuContext* gpu; KernelImpl* primaryKernel; bool removeCM, useOBC; bool hasBonds, hasAngles, hasPeriodicTorsions, hasRB, hasNonbonded; int cmMotionFrequency; }; } // namespace OpenMM #endif /*OPENMM_CUDAPLATFORM_H_*/