/* -------------------------------------------------------------------------- * * 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) 2019 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 "OpenCLKernel.h" #include "openmm/common/ComputeArray.h" using namespace OpenMM; using namespace std; OpenCLKernel::OpenCLKernel(OpenCLContext& context, cl::Kernel kernel) : context(context), kernel(kernel) { } string OpenCLKernel::getName() const { return kernel.getInfo(); } void OpenCLKernel::execute(int threads, int blockSize) { // Set args that are specified by OpenCLArrays. We can't do this earlier, because it's // possible resize() will get called on an array, causing its internal storage to be // recreated. for (int i = 0; i < arrayArgs.size(); i++) if (arrayArgs[i] != NULL) kernel.setArg(i, arrayArgs[i]->getDeviceBuffer()); context.executeKernel(kernel, threads, blockSize); } void OpenCLKernel::addArrayArg(ArrayInterface& value) { int index = arrayArgs.size(); addEmptyArg(); setArrayArg(index, value); } void OpenCLKernel::addPrimitiveArg(const void* value, int size) { int index = arrayArgs.size(); addEmptyArg(); setPrimitiveArg(index, value, size); } void OpenCLKernel::addEmptyArg() { arrayArgs.push_back(NULL); } void OpenCLKernel::setArrayArg(int index, ArrayInterface& value) { arrayArgs[index] = &context.unwrap(value); } void OpenCLKernel::setPrimitiveArg(int index, const void* value, int size) { // The const_cast is needed because of a bug in the OpenCL C++ wrappers. clSetKernelArg() // declares the value to be const, but the C++ wrapper doesn't. kernel.setArg(index, size, const_cast(value)); }