OpenCAL is a scientific software library specifically developed for the simulation of 2D and 3D complex dynamical systems on parallel computational devices. It is written in C/C++ and relies on OpenMP/OpenCL and MPI for parallel execution on multi-/many-core devices and clusters of computers, respectively. The library provides the Extended Cellular Automata paradigm as a high-level formalism for modeling complex systems on structured computational grids. As a consequence, it can be used as a parallel explicit solver of ordinary and partial differential equations through classical methods, including finite-difference and finite-volume. Here the latest version of the library is described, introducing the MPI infrastructure over the 3D OpenCL and 2D/3D OpenMP components. The implementation of a three-dimensional unsaturated flow model based on a direct discrete formulation of the Richards’ equation is also shown, corresponding to a finite-difference scheme. Computational performances have been assessed on both a scientific workstation equipped with a dual Intel Xeon socket and three Nvidia GPUs, and a 16 nodes cluster with a fast interconnection network. The OpenCAL embedded quantization optimization is also discussed and exploited to drastically reduce computing time.

OpenCAL是专门为在并行计算设备上模拟2D和3D复杂动力系统而开发的科学软件库。它是用C / C ++编写的，并且分别依靠OpenMP / OpenCL和MPI在多核/多核设备和计算机集群上并行执行。该库提供了扩展的元胞自动机范例，作为在结构化计算网格上对复杂系统建模的高级形式主义。因此，它可以通过经典方法（包括有限差分和有限体积）用作常微分方程和偏微分方程的并行显式求解器。这里描述了该库的最新版本，介绍了基于3D OpenCL和2D / 3D OpenMP组件的MPI基础结构。还显示了基于Richards方程的直接离散公式的三维不饱和流动模型的实现，该模型对应于有限差分方案。在配备双Intel Xeon插槽和三个Nvidia GPU的科学工作站以及具有快速互连网络的16节点群集上，都对计算性能进行了评估。嵌入式OpenCAL还讨论并优化了量化优化，以大大减少计算时间。