/* -------------------------------------------------------------------------- *
* OpenMMDrude *
* -------------------------------------------------------------------------- *
* 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) 2011-2013 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
#include "OpenCLDrudeKernelFactory.h"
#include "OpenCLDrudeKernels.h"
#include "openmm/internal/windowsExport.h"
#include "openmm/internal/ContextImpl.h"
#include "openmm/OpenMMException.h"
using namespace OpenMM;
extern "C" void registerPlatforms() {
}
extern "C" void registerKernelFactories() {
try {
Platform& platform = Platform::getPlatformByName("OpenCL");
OpenCLDrudeKernelFactory* factory = new OpenCLDrudeKernelFactory();
platform.registerKernelFactory(CalcDrudeForceKernel::Name(), factory);
platform.registerKernelFactory(IntegrateDrudeLangevinStepKernel::Name(), factory);
platform.registerKernelFactory(IntegrateDrudeSCFStepKernel::Name(), factory);
}
catch (std::exception ex) {
// Ignore
}
}
extern "C" OPENMM_EXPORT void registerDrudeOpenCLKernelFactories() {
try {
Platform::getPlatformByName("OpenCL");
}
catch (...) {
Platform::registerPlatform(new OpenCLPlatform());
}
registerKernelFactories();
}
KernelImpl* OpenCLDrudeKernelFactory::createKernelImpl(std::string name, const Platform& platform, ContextImpl& context) const {
OpenCLContext& cl = *static_cast(context.getPlatformData())->contexts[0];
if (name == CalcDrudeForceKernel::Name())
return new OpenCLCalcDrudeForceKernel(name, platform, cl);
if (name == IntegrateDrudeLangevinStepKernel::Name())
return new OpenCLIntegrateDrudeLangevinStepKernel(name, platform, cl);
if (name == IntegrateDrudeSCFStepKernel::Name())
return new OpenCLIntegrateDrudeSCFStepKernel(name, platform, cl);
throw OpenMMException((std::string("Tried to create kernel with illegal kernel name '")+name+"'").c_str());
}