New Time Integrators and Capabilities in SUNDIALS Versions 6.2.0-7.4.0

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dc.contributor.authorRoberts, Steven B.
dc.contributor.authorA?gül, Mustafa
dc.contributor.authorReynolds, Daniel
dc.contributor.authorBalos, Cody J.
dc.contributor.authorGardner, David J.
dc.contributor.authorWoodward, Carol S.
dc.date.accessioned2026-02-12T16:44:13Z
dc.date.issued2025-06-17
dc.description.abstractSUNDIALS 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.
dc.description.sponsorshipThis material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research (ASCR) via the Frameworks, Algorithms, and Software Technologies for Mathematics Institute, the Next-Generation Scientific Software Technologies Program, the FRONTIERS in Leadership Gyrokinetic Simulation U. S. Department of Energy Office of Science Office of Fusion Energy Sciences (FES) and ASCR partnership, the CEDA: Computational Evaluation and Design of Actuators for Core-Edge Integration FES and ASCR partnership, and the Traversing the “death valley” separating short and long times in non-equilibrium quantum dynamical simulations of real materials U.S. Department of Energy Office of Science Office of Basic Energy Sciences and ASCR Partnership, all through the Scientific Discovery through Advanced Computing (SciDAC) program. In addition, some funding for this work was provided by the Lawrence Livermore National Laboratory Institutional Scientific Capability Program. This work was partially performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-JRNL-2007253. This manuscript has been authored in part by Lawrence Livermore National Security, LLC under Contract No. DE-AC52-07NA27344 with the US. Department of Energy. The United States Government retains, and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes.
dc.description.urihttp://arxiv.org/abs/2506.14976
dc.format.extent13 pages
dc.genrejournal articles
dc.genrepreprints
dc.identifierdoi:10.13016/m2jout-e6ng
dc.identifier.urihttps://doi.org/10.48550/arXiv.2506.14976
dc.identifier.urihttp://hdl.handle.net/11603/41862
dc.language.isoen
dc.relation.isAvailableAtThe University of Maryland, Baltimore County (UMBC)
dc.relation.ispartofUMBC Mathematics and Statistics Department
dc.relation.ispartofUMBC Faculty Collection
dc.rightsThis work was written as part of one of the author's official duties as an Employee of the United States Government and is therefore a work of the United States Government. In accordance with 17 U.S.C. 105, no copyright protection is available for such works under U.S. Law.
dc.rightsPublic Domain
dc.rights.urihttps://creativecommons.org/publicdomain/mark/1.0/
dc.subjectComputer Science - Mathematical Software
dc.subjectUMBC High Performance Computing Facility (HPCF)
dc.titleNew Time Integrators and Capabilities in SUNDIALS Versions 6.2.0-7.4.0
dc.typeText
dcterms.creatorhttps://orcid.org/0000-0002-0911-7841
dcterms.creatorhttps://orcid.org/0000-0003-4013-9907

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