/* -------------------------------------------------------------------------- *
* 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/OpenMMContextImpl.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(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;
}