#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: * * * * 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" #include "windowsExportCuda.h" struct _gpuContext; namespace OpenMM { /** * This Platform subclass uses CUDA implementations of the OpenMM kernels to run on NVidia GPUs. */ class OPENMMCUDA_EXPORT CudaPlatform : public Platform { public: class PlatformData; CudaPlatform(); const std::string& getName() const { static const std::string name = "Cuda"; return name; } double getSpeed() const { return 100; } 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 CUDA device to use. */ static const std::string& CudaDevice() { static const std::string key = "CudaDevice"; return key; } /** * This is the name of the parameter for selecting whether CUDA should sync or spin loop while waiting for results. */ static const std::string& CudaUseBlockingSync() { static const std::string key = "CudaUseBlockingSync"; return key; } }; class CudaPlatform::PlatformData { public: OPENMMCUDA_EXPORT PlatformData(_gpuContext* gpu); _gpuContext* gpu; bool removeCM; bool hasBonds, hasAngles, hasPeriodicTorsions, hasRB, hasNonbonded, hasCustomNonbonded; int nonbondedMethod, customNonbondedMethod; int cmMotionFrequency; int stepCount, computeForceCount; double time, ewaldSelfEnergy, dispersionCoefficient; std::map propertyValues; }; } // namespace OpenMM #endif /*OPENMM_CUDAPLATFORM_H_*/