CudaPlatform.cpp

/* -------------------------------------------------------------------------- *
 *                                   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:                                                              *
 *                                                                            *
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#include "CudaPlatform.h"
#include "CudaKernelFactory.h"
#include "CudaKernels.h"
#include "internal/OpenMMContextImpl.h"
#include "kernels/gpuTypes.h"
#include "System.h"

using namespace OpenMM;

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(CalcGBSAOBCForceFieldKernel::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<PlatformData*>(context.getPlatformData());
    gpuShutDown(data->gpu);
    delete data;
}