SUNDIALS is a well-established numerical library that provides robust and efficient time integrators and nonlinear solvers. This paper overviews several significant improvements and new features added over the last three years to support scientific simulations run on high-performance computing systems. Notably, three new classes of one-step methods have been implemented: low storage Runge-Kutta, symplectic partitioned Runge-Kutta, and operator splitting. In addition, we describe new time step adaptivity support for multirate methods, adjoint sensitivity analysis capabilities for explicit Runge-Kutta methods, additional options for Anderson acceleration in nonlinear solvers, and improved error handling and logging.
翻译:SUNDIALS是一个成熟的数值计算库,提供稳健高效的时间积分器和非线性求解器。本文概述了过去三年中为支持高性能计算系统上的科学模拟而添加的若干重要改进与新功能。特别值得注意的是,我们实现了三类新的单步方法:低存储龙格-库塔法、辛分区龙格-库塔法以及算子分裂法。此外,本文还描述了针对多速率方法新增的时间步长自适应支持、显式龙格-库塔法的伴随灵敏度分析功能、非线性求解器中安德森加速的额外选项,以及改进的错误处理和日志记录机制。