/* -------------------------------------------------------------------------- * * 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 "CudaPlatform.h" #include "CudaKernelFactory.h" #include "CudaKernels.h" #include "PluginInitializer.h" #include "internal/OpenMMContextImpl.h" #include "kernels/gputypes.h" #include "System.h" using namespace OpenMM; extern "C" void initOpenMMPlugin() { if (gpuIsAvailable()) Platform::registerPlatform(new CudaPlatform()); } CudaPlatform::CudaPlatform() { CudaKernelFactory* factory = new CudaKernelFactory(); 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(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(OpenMMContextImpl& context) const { int numParticles = context.getSystem().getNumParticles(); _gpuContext* gpu = (_gpuContext*) gpuInit(numParticles); context.setPlatformData(new PlatformData(gpu)); } void CudaPlatform::contextDestroyed(OpenMMContextImpl& context) const { PlatformData* data = reinterpret_cast(context.getPlatformData()); gpuShutDown(data->gpu); delete data; }