Cucheb swMATH ID: 28326 Software Authors: Aurentz, Jared L.; Kalantzis, Vassilis; Saad, Yousef Description: Cucheb: a GPU implementation of the filtered Lanczos procedure. This paper describes the software package Cucheb, a GPU implementation of the filtered Lanczos procedure for the solution of large sparse symmetric eigenvalue problems. The filtered Lanczos procedure uses a carefully chosen polynomial spectral transformation to accelerate convergence of the Lanczos method when computing eigenvalues within a desired interval. This method has proven particularly effective for eigenvalue problems that arise in electronic structure calculations and density functional theory. We compare our implementation against an equivalent CPU implementation and show that using the GPU can reduce the computation time by more than a factor of 10. Homepage: https://www.sciencedirect.com/science/article/pii/S0010465517301984 Source Code: https://github.com/jaurentz/cucheb Keywords: GPU; eigenvalues; eigenvectors; quantum mechanics; electronic structure calculations; density functional theory Related Software: SparseMatrix; CUBLAS; CUSPARSE; CUDA; CHOLMOD; EVSL; lobpcg.m; CheFSI; PARSEC; CSparse; a-TRLan; CASTEP; AUGEM; TraceMIN; CIRR; Quantum Espresso; ABINIT; ARPACK; Anasazi; TRLan Cited in: 3 Publications Standard Articles 1 Publication describing the Software, including 1 Publication in zbMATH Year Cucheb: a GPU implementation of the filtered Lanczos procedure. Zbl 1411.65005Aurentz, Jared L.; Kalantzis, Vassilis; Saad, Yousef 2017 all top 5 Cited by 8 Authors 2 Aurentz, Jared Lee 2 Kalantzis, Vassilis 2 Saad, Yousef 1 Austin, Anthony P. 1 Benzi, Michele 1 Erlandson, Lucas 1 Li, Ruipeng 1 Xi, Yuanzhe Cited in 3 Serials 1 Computer Physics Communications 1 SIAM Journal on Matrix Analysis and Applications 1 SIAM Journal on Scientific Computing Cited in 3 Fields 3 Numerical analysis (65-XX) 1 Combinatorics (05-XX) 1 Linear and multilinear algebra; matrix theory (15-XX) Citations by Year