#ifndef OPENMM_OPENCLSTREAMIMPL_H_
#define OPENMM_OPENCLSTREAMIMPL_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) 2008-2009 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/StreamImpl.h"
#include "OpenCLArray.h"
namespace OpenMM {
/**
* This is the implementation of streams in the OpenCL Platform.
*/
template
class OpenCLStreamImpl : public StreamImpl {
public:
OpenCLStreamImpl(std::string name, int size, Stream::DataType type, const Platform& platform, OpenCLContext& context);
OpenCLStreamImpl(std::string name, int size, Stream::DataType type, const Platform& platform, OpenCLArray* clarray, int rowOffset, OpenCLContext& context);
~OpenCLStreamImpl();
void loadFromArray(const void* array);
void saveToArray(void* array);
void fillWithValue(void* value);
const OpenCLArray& getArray() const;
OpenCLArray& getArray();
private:
void initType();
OpenCLArray* clarray;
OpenCLContext& context;
bool ownArray;
int width, rowOffset;
Stream::DataType baseType;
};
template
OpenCLStreamImpl::OpenCLStreamImpl(std::string name, int size, Stream::DataType type, const Platform& platform, OpenCLContext& context) :
StreamImpl(name, size, type, platform), ownArray(true), context(context) {
initType();
clarray = new OpenCLArray(context, size*width, name, true);
rowOffset = width;
};
template
OpenCLStreamImpl::OpenCLStreamImpl(std::string name, int size, Stream::DataType type, const Platform& platform, OpenCLArray* clarray, int rowOffset, OpenCLContext& context) :
StreamImpl(name, size, type, platform), clarray(clarray), rowOffset(rowOffset), ownArray(false), context(context) {
initType();
};
template
void OpenCLStreamImpl::initType() {
switch (getDataType()) {
case Stream::Float:
case Stream::Float2:
case Stream::Float3:
case Stream::Float4:
baseType = Stream::Float;
break;
case Stream::Double:
case Stream::Double2:
case Stream::Double3:
case Stream::Double4:
baseType = Stream::Double;
break;
case Stream::Integer:
case Stream::Integer2:
case Stream::Integer3:
case Stream::Integer4:
baseType = Stream::Integer;
break;
}
switch (getDataType()) {
case Stream::Float:
case Stream::Double:
case Stream::Integer:
width = 1;
break;
case Stream::Float2:
case Stream::Double2:
case Stream::Integer2:
width = 2;
break;
case Stream::Float3:
case Stream::Double3:
case Stream::Integer3:
width = 3;
break;
case Stream::Float4:
case Stream::Double4:
case Stream::Integer4:
width = 4;
break;
}
}
template
OpenCLStreamImpl::~OpenCLStreamImpl() {
if (ownArray)
delete clarray;
}
template
void OpenCLStreamImpl::loadFromArray(const void* array) {
float* data = reinterpret_cast(clarray->getHostBuffer());
OpenCLArray& order = context.getAtomIndex();
if (baseType == Stream::Float) {
float* arrayData = (float*) array;
for (int i = 0; i < getSize(); ++i)
for (int j = 0; j < width; ++j)
data[i*rowOffset+j] = arrayData[order[i]*width+j];
}
else if (baseType == Stream::Double) {
double* arrayData = (double*) array;
for (int i = 0; i < getSize(); ++i)
for (int j = 0; j < width; ++j)
data[i*rowOffset+j] = (float) arrayData[order[i]*width+j];
}
else {
int* arrayData = (int*) array;
for (int i = 0; i < getSize(); ++i)
for (int j = 0; j < width; ++j)
data[i*rowOffset+j] = (float) arrayData[order[i]*width+j];
}
clarray->upload();
// if (getName() == "particlePositions") {
// for (int i = 0; i < context->posCellOffsets.size(); i++)
// context.posCellOffsets[i] = make_int3(0, 0, 0);
// }
}
template
void OpenCLStreamImpl::saveToArray(void* array) {
clarray->download();
float* data = reinterpret_cast(clarray->getHostBuffer());
OpenCLArray& order = context.getAtomIndex();
if (baseType == Stream::Float) {
float* arrayData = (float*) array;
for (int i = 0; i < getSize(); ++i)
for (int j = 0; j < width; ++j)
arrayData[order[i]*width+j] = data[i*rowOffset+j];
}
else if (baseType == Stream::Double) {
double* arrayData = (double*) array;
for (int i = 0; i < getSize(); ++i)
for (int j = 0; j < width; ++j)
arrayData[order[i]*width+j] = data[i*rowOffset+j];
// if (context && getName() == "particlePositions") {
// for (int i = 0; i < getSize(); i++) {
// int3 offset = context->posCellOffsets[i];
// arrayData[order[i]*width] -= offset.x*context->sim.periodicBoxSizeX;
// arrayData[order[i]*width+1] -= offset.y*context->sim.periodicBoxSizeY;
// arrayData[order[i]*width+2] -= offset.z*context->sim.periodicBoxSizeZ;
// }
// }
}
else {
int* arrayData = (int*) array;
for (int i = 0; i < getSize(); ++i)
for (int j = 0; j < width; ++j)
arrayData[order[i]*width+j] = (int) data[i*rowOffset+j];
}
}
template
void OpenCLStreamImpl::fillWithValue(void* value) {
float* data = reinterpret_cast(clarray->getHostBuffer());
if (baseType == Stream::Float) {
float valueData = *((float*) value);
for (int i = 0; i < getSize(); ++i)
for (int j = 0; j < width; ++j)
data[i*rowOffset+j] = valueData;
}
else if (baseType == Stream::Double) {
double valueData = *((double*) value);
for (int i = 0; i < getSize(); ++i)
for (int j = 0; j < width; ++j)
data[i*rowOffset+j] = (float) valueData;
}
else {
int valueData = *((int*) value);
for (int i = 0; i < getSize(); ++i)
for (int j = 0; j < width; ++j)
data[i*rowOffset+j] = (float) valueData;
}
clarray->upload();
// if (context && getName() == "particlePositions") {
// context->bRecalculateBornRadii = true;
// for (int i = 0; i < context->posCellOffsets.size(); i++)
// context->posCellOffsets[i] = make_int3(0, 0, 0);
// }
}
template
const OpenCLArray& OpenCLStreamImpl::getArray() const {
return clarray;
}
template
OpenCLArray& OpenCLStreamImpl::getArray() {
return clarray;
}
} // namespace OpenMM
#endif /*OPENMM_OPENCLSTREAMIMPL_H_*/