/* -------------------------------------------------------------------------- * * 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) 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 "OpenCLContext.h" #include "OpenCLArray.h" using namespace OpenMM; OpenCLContext::OpenCLContext(int numParticles, int platformIndex, int deviceIndex) { // TODO Select the platform and device correctly context = new cl::Context(CL_DEVICE_TYPE_CPU); queue = new cl::CommandQueue(getContext(), getContext().getInfo()[0]); posq = new OpenCLArray(*this, numParticles, "posq", true); velm = new OpenCLArray(*this, numParticles, "velm", true); force = new OpenCLArray(*this, numParticles, "force", true); atomIndex = new OpenCLArray(*this, numParticles, "atomIndex", true); } OpenCLContext::~OpenCLContext() { delete context; delete queue; delete posq; delete velm; delete force; delete atomIndex; }