Libkrylov: A Modular Open-Source Software Library for Extremely Large On-The-Fly Matrix Computations

Strongly coupled linear equation systems or eigenvalue problems with extremely large numbers of unknowns are a critical bottleneck for computational solutions to many grand challenges in science and engineering. This project aims to develop, implement, test, and deploy libkrylov, a robust, efficient, and general open-source library of "on-the-fly" Krylov space methods suitable for solving such extremely large, dense problems. libkrylov will deliver the latest innovations in Krylov-space methods to the scientific and engineering communities by providing a uniform, reproducible, and user-friendly software standard. This project will promote computational literacy through student training and workforce education at University of California, Irvine and San Diego State University, and enhance national software infrastructure through collaboration with the NSF-funded Molecular Sciences Software Institute (MolSSI) in Blacksburg, VA.