/* -------------------------------------------------------------------------- *
* OpenMMAmoeba *
* -------------------------------------------------------------------------- *
* 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) 2008-2019 Stanford University and the Authors. *
* Authors: Mark Friedrichs, 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 "AmoebaCudaKernelFactory.h"
#include "AmoebaCudaKernels.h"
#include "CudaPlatform.h"
#include "openmm/internal/ContextImpl.h"
#include "openmm/OpenMMException.h"
#include "openmm/internal/windowsExport.h"
using namespace OpenMM;
#ifdef OPENMM_BUILDING_STATIC_LIBRARY
static void registerPlatforms() {
#else
extern "C" OPENMM_EXPORT void registerPlatforms() {
#endif
}
#ifdef OPENMM_BUILDING_STATIC_LIBRARY
static void registerKernelFactories() {
#else
extern "C" OPENMM_EXPORT void registerKernelFactories() {
#endif
try {
Platform& platform = Platform::getPlatformByName("CUDA");
AmoebaCudaKernelFactory* factory = new AmoebaCudaKernelFactory();
platform.registerKernelFactory(CalcAmoebaTorsionTorsionForceKernel::Name(), factory);
platform.registerKernelFactory(CalcAmoebaMultipoleForceKernel::Name(), factory);
platform.registerKernelFactory(CalcAmoebaGeneralizedKirkwoodForceKernel::Name(), factory);
platform.registerKernelFactory(CalcAmoebaVdwForceKernel::Name(), factory);
platform.registerKernelFactory(CalcAmoebaWcaDispersionForceKernel::Name(), factory);
platform.registerKernelFactory(CalcHippoNonbondedForceKernel::Name(), factory);
}
catch (...) {
// Ignore. The CUDA platform isn't available.
}
}
extern "C" OPENMM_EXPORT void registerAmoebaCudaKernelFactories() {
try {
Platform::getPlatformByName("CUDA");
}
catch (...) {
Platform::registerPlatform(new CudaPlatform());
}
registerKernelFactories();
}
KernelImpl* AmoebaCudaKernelFactory::createKernelImpl(std::string name, const Platform& platform, ContextImpl& context) const {
CudaPlatform::PlatformData& data = *static_cast(context.getPlatformData());
CudaContext& cu = *data.contexts[0];
if (name == CalcAmoebaTorsionTorsionForceKernel::Name())
return new CudaCalcAmoebaTorsionTorsionForceKernel(name, platform, cu, context.getSystem());
if (name == CalcAmoebaMultipoleForceKernel::Name())
return new CudaCalcAmoebaMultipoleForceKernel(name, platform, cu, context.getSystem());
if (name == CalcAmoebaGeneralizedKirkwoodForceKernel::Name())
return new CudaCalcAmoebaGeneralizedKirkwoodForceKernel(name, platform, cu, context.getSystem());
if (name == CalcAmoebaVdwForceKernel::Name())
return new CudaCalcAmoebaVdwForceKernel(name, platform, cu, context.getSystem());
if (name == CalcAmoebaWcaDispersionForceKernel::Name())
return new CudaCalcAmoebaWcaDispersionForceKernel(name, platform, cu, context.getSystem());
if (name == CalcHippoNonbondedForceKernel::Name())
return new CudaCalcHippoNonbondedForceKernel(name, platform, cu, context.getSystem());
throw OpenMMException((std::string("Tried to create kernel with illegal kernel name '")+name+"'").c_str());
}