/* -------------------------------------------------------------------------- * * 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, Mark Friedrichs * * Contributors: * * * * Permission is hereby granted, free of charge, to any person obtaining a * * copy of this software and associated documentation files (the "Software"), * * to deal in the Software without restriction, including without limitation * * the rights to use, copy, modify, merge, publish, distribute, sublicense, * * and/or sell copies of the Software, and to permit persons to whom the * * Software is furnished to do so, subject to the following conditions: * * * * The above copyright notice and this permission notice shall be included in * * all copies or substantial portions of the Software. * * * * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL * * THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, * * DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR * * OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE * * USE OR OTHER DEALINGS IN THE SOFTWARE. * * -------------------------------------------------------------------------- */ #include "BrookFloatStreamImpl.h" using namespace OpenMM; BrookFloatStreamImpl::BrookFloatStreamImpl(std::string name, int size, Stream::DataType type, int streamWidth, const Platform& platform, float inputDefaultDangleValue) : StreamImpl(name, size, type, platform) { switch (type) { 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::Float; break; } switch (type) { case Stream::Float: case Stream::Double: width = 1; break; case Stream::Float2: case Stream::Double2: width = 2; break; case Stream::Float3: case Stream::Double3: width = 3; break; case Stream::Float4: case Stream::Double4: width = 4; break; } defaultDangleValue = inputDefaultDangleValue; // set stream height based on specified stream width streamWidth = inputStreamWidth; streamHeight = size/streamWidth + ((size % streamWidth) ? 1 : 0); streamSize = streamHeight*streamWidth; // create Brook stream handle switch( width ){ case 1: aStream = brook::stream::create( streamHeight, streamWidth ); break; case 2: aStream = brook::stream::create( streamHeight, streamWidth ); break; case 3: aStream = brook::stream::create( streamHeight, streamWidth ); break; case 4: aStream = brook::stream::create( streamHeight, streamWidth ); break; } // allocate memory for data buffer data = new float*[streamSize]; for (int i = 0; i < streamSize; ++i){ data[i] = new float[width]; } if( sizeof( float ) != sizeof( RealOpenMM ) ){ realOpenMMData = new RealOpenMM*[streamSize]; for (int i = 0; i < streamSize; ++i){ realOpenMMData[i] = new RealOpenMM[width]; } } else { realOpenMMData = NULL; } } BrookFloatStreamImpl::~BrookFloatStreamImpl() { delete aStream; delete data[]; delete realOpenMMData[]; } void BrookFloatStreamImpl::loadFromArray(const void* array) { if( baseType == Stream::Float ){ float* arrayData = (float*) array; for (int i = 0; i < getSize(); ++i){ for (int j = 0; j < width; ++j){ data[i][j] = arrayData[i*width+j]; } } } else { double* arrayData = (double*) array; for (int i = 0; i < getSize(); ++i){ for (int j = 0; j < width; ++j){ data[i][j] = (float) arrayData[i*width+j]; } } } // set dangling values _loadDanglingValues(); // write to GPU aStream.read( data ); } void BrookFloatStreamImpl::saveToArray(void* array) { // get data from GPU aStream.write( data ); // load into array if( baseType == Stream::Float ){ float* arrayData = (float*) array; for( int i = 0; i < getSize(); ++i ){ for( int j = 0; j < width; ++j ){ arrayData[i*width+j] = data[i][j]; } } } else { double* arrayData = (double*) array; for( int i = 0; i < getSize(); ++i ){ for( int j = 0; j < width; ++j ){ arrayData[i*width+j] = data[i][j]; } } } } void BrookFloatStreamImpl::fillWithValue( void* value ){ if (baseType == Stream::Float) { float valueData = *((float*) value); for( int i = 0; i < getSize(); i++ ){ for( int j = 0; j < width; j++ ){ data[i][j] = valueData; } } } else { double valueData = *((double*) value); for( int i = 0; i < getSize(); i++ ){ for (int j = 0; j < width; j++ ){ data[i][j] = valueData; } } } _loadDanglingValues(); aStream.read( data ); } const RealOpenMM* const * BrookFloatStreamImpl::getData() const { // retreive data from GPU aStream.write( data ); // check if RealOpenMM is float; if not, then // copy into realOpenMMData[][] array if( realOpenMMData ){ for( int i = 0; i < getSize(); i++ ){ for( int j = 0; j < width; j++ ){ realOpenMMData[i][j] = (RealOpenMM) data[i][j]; } } return realOpenMMData; } else { return data; } } RealOpenMM** BrookFloatStreamImpl::getData() { aStream.write( data ); if( realOpenMMData ){ for( int i = 0; i < getSize(); i++ ){ for( int j = 0; j < width; j++ ){ realOpenMMData[i][j] = (RealOpenMM) data[i][j]; } } return realOpenMMData; } else { return data; } } void BrookFloatStreamImpl::_loadDanglingValues( float danglingValue ){ for( int ii = getSize(); ii < streamSize; ii++ ){ for( int jj = 0; jj < width; jj++ ){ data[ii][jj] = danglingValue; } } } void BrookFloatStreamImpl::_loadDanglingValues( void ){ _loadDanglingValues( defaultDangleValue ); }