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Enabling New Flexibility in the SUNDIALS Suite of Nonlinear and Differential/Algebraic Equation Solvers
arXiv - CS - Mathematical Software Pub Date : 2020-11-19 , DOI: arxiv-2011.10073
David J. Gardner, Daniel R. Reynolds, Carol S. Woodward, Cody J. Balos

In recent years, the SUite of Nonlinear and DIfferential/ALgebraic equation Solvers (SUNDIALS) has been redesigned to better enable the use of application-specific and third-party algebraic solvers and data structures. Throughout this work, we have adhered to specific guiding principles that minimized the impact to current users while providing maximum flexibility for later evolution of solvers and data structures. The redesign was done through creation of new classes for linear and nonlinear solvers, enhancements to the vector class, and the creation of modern Fortran interfaces that leverage interoperability features of the Fortran 2003 standard. The vast majority of this work has been performed "behind-the-scenes," with minimal changes to the user interface and no reduction in solver capabilities or performance. However, these changes now allow advanced users to create highly customized solvers that exploit their problem structure, enabling SUNDIALS use on extreme-scale, heterogeneous computational architectures.

中文翻译:

在SUNDIALS非线性和微分/代数方程求解器套件中实现新的灵活性

近年来,对非线性和微分/代数方程求解器(SUNDIALS)的SUite进行了重新设计,以更好地启用特定于应用程序和第三方的代数求解器和数据结构。在整个工作过程中,我们一直遵循特定的指导原则,该原则将对当前用户的影响降到最低,同时为以后的求解器和数据结构的发展提供最大的灵活性。重新设计是通过创建用于线性和非线性求解器的新类,对向量类的增强以及利用Fortran 2003标准的互操作性功能的现代Fortran接口的创建来完成的。这项工作的绝大部分是在“幕后”执行的,对用户界面的更改最少,并且求解器功能或性能没有降低。然而,
更新日期:2020-11-23
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