#ifndef OPENMM_OPENCLPLATFORM_H_
#define OPENMM_OPENCLPLATFORM_H_
/* -------------------------------------------------------------------------- *
* 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) 2008-2016 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 "openmm/Platform.h"
#include "openmm/System.h"
#include "openmm/internal/ThreadPool.h"
#include "windowsExportOpenCL.h"
namespace OpenMM {
class OpenCLContext;
/**
* This Platform subclass uses OpenCL implementations of the OpenMM kernels.
*/
class OPENMM_EXPORT_OPENCL OpenCLPlatform : public Platform {
public:
class PlatformData;
OpenCLPlatform();
const std::string& getName() const {
static const std::string name = "OpenCL";
return name;
}
double getSpeed() const;
bool supportsDoublePrecision() const;
static bool isPlatformSupported();
const std::string& getPropertyValue(const Context& context, const std::string& property) const;
void setPropertyValue(Context& context, const std::string& property, const std::string& value) const;
void contextCreated(ContextImpl& context, const std::map& properties) const;
void linkedContextCreated(ContextImpl& context, ContextImpl& originalContext) const;
void contextDestroyed(ContextImpl& context) const;
/**
* This is the name of the parameter for selecting which OpenCL device or devices to use.
*/
static const std::string& OpenCLDeviceIndex() {
static const std::string key = "DeviceIndex";
return key;
}
/**
* This is the name of the parameter that reports the OpenCL device or devices being used.
*/
static const std::string& OpenCLDeviceName() {
static const std::string key = "DeviceName";
return key;
}
/**
* This is the name of the parameter for selecting which OpenCL platform to use.
*/
static const std::string& OpenCLPlatformIndex() {
static const std::string key = "OpenCLPlatformIndex";
return key;
}
/**
* This is the name of the parameter that reports the OpenCL platform being used.
*/
static const std::string& OpenCLPlatformName() {
static const std::string key = "OpenCLPlatformName";
return key;
}
/**
* This is the name of the parameter for selecting what numerical precision to use.
*/
static const std::string& OpenCLPrecision() {
static const std::string key = "Precision";
return key;
}
/**
* This is the name of the parameter for selecting whether to use the CPU based PME calculation.
*/
static const std::string& OpenCLUseCpuPme() {
static const std::string key = "UseCpuPme";
return key;
}
/**
* This is the name of the parameter for selecting whether to disable use of a separate stream for PME.
*/
static const std::string& OpenCLDisablePmeStream() {
static const std::string key = "DisablePmeStream";
return key;
}
};
class OPENMM_EXPORT_OPENCL OpenCLPlatform::PlatformData {
public:
PlatformData(const System& system, const std::string& platformPropValue, const std::string& deviceIndexProperty, const std::string& precisionProperty,
const std::string& cpuPmeProperty, const std::string& pmeStreamProperty, int numThreads, ContextImpl* originalContext);
~PlatformData();
void initializeContexts(const System& system);
void syncContexts();
ContextImpl* context;
std::vector contexts;
std::vector contextEnergy;
bool hasInitializedContexts, removeCM, useCpuPme, disablePmeStream;
int cmMotionFrequency;
int stepCount, computeForceCount;
double time;
std::map propertyValues;
ThreadPool threads;
};
} // namespace OpenMM
#endif /*OPENMM_OPENCLPLATFORM_H_*/