/* -------------------------------------------------------------------------- * * 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 "CudaPlatform.h" #include "CudaKernelFactory.h" #include "CudaKernels.h" #include "openmm/PluginInitializer.h" #include "openmm/internal/ContextImpl.h" #include "kernels/gputypes.h" #include "openmm/System.h" using namespace OpenMM; extern "C" void initOpenMMPlugin() { if (gpuIsAvailable()) Platform::registerPlatform(new CudaPlatform()); } CudaPlatform::CudaPlatform() { CudaKernelFactory* factory = new CudaKernelFactory(); registerKernelFactory(InitializeForcesKernel::Name(), factory); registerKernelFactory(UpdateTimeKernel::Name(), factory); registerKernelFactory(CalcHarmonicBondForceKernel::Name(), factory); registerKernelFactory(CalcHarmonicAngleForceKernel::Name(), factory); registerKernelFactory(CalcPeriodicTorsionForceKernel::Name(), factory); registerKernelFactory(CalcRBTorsionForceKernel::Name(), factory); registerKernelFactory(CalcNonbondedForceKernel::Name(), factory); registerKernelFactory(CalcGBSAOBCForceKernel::Name(), factory); registerKernelFactory(IntegrateVerletStepKernel::Name(), factory); registerKernelFactory(IntegrateLangevinStepKernel::Name(), factory); registerKernelFactory(IntegrateBrownianStepKernel::Name(), factory); registerKernelFactory(IntegrateVariableVerletStepKernel::Name(), factory); registerKernelFactory(ApplyAndersenThermostatKernel::Name(), factory); registerKernelFactory(CalcKineticEnergyKernel::Name(), factory); registerKernelFactory(RemoveCMMotionKernel::Name(), factory); } bool CudaPlatform::supportsDoublePrecision() const { return false; } const StreamFactory& CudaPlatform::getDefaultStreamFactory() const { return defaultStreamFactory; } void CudaPlatform::contextCreated(ContextImpl& context) const { int numParticles = context.getSystem().getNumParticles(); _gpuContext* gpu = (_gpuContext*) gpuInit(numParticles); context.setPlatformData(new PlatformData(gpu)); } void CudaPlatform::contextDestroyed(ContextImpl& context) const { PlatformData* data = reinterpret_cast(context.getPlatformData()); gpuShutDown(data->gpu); delete data; }