Cucheb: a GPU implementation of the filtered Lanczos procedure

DOI10.1016/J.CPC.2017.06.016zbMATH Open1411.65005OpenAlexW2727864131MaRDI QIDQ1737460FDOQ1737460

Authors: Vassilis Kalantzis, Y. Saad, Jared Lee Aurentz 

Publication date: 23 April 2019

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2017.06.016

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zbMATH Keywords

eigenvalueseigenvectorsquantum mechanicsdensity functional theoryGPUelectronic structure calculations

Mathematics Subject Classification ID

Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Software, source code, etc. for problems pertaining to numerical analysis (65-04)

Cites Work

• IRBL: An Implicitly Restarted Block-Lanczos Method for Large-Scale Hermitian Eigenproblems
• The university of Florida sparse matrix collection
• Numerical methods for large eigenvalue problems
• A Filtered Lanczos Procedure for Extreme and Interior Eigenvalue Problems
• The principle of minimized iterations in the solution of the matrix eigenvalue problem
• Thick-restart Lanczos method for large symmetric eigenvalue problems
• The Matrix Eigenvalue Problem
• The kernel polynomial method
• The Lanczos Algorithm With Partial Reorthogonalization
• Title not available (Why is that?)
• Spectral Schur complement techniques for symmetric eigenvalue problems
• A Chebyshev–Davidson Algorithm for Large Symmetric Eigenproblems
• A block Chebyshev-Davidson method with inner-outer restart for large eigenvalue problems
• Self-consistent-field calculations using Chebyshev-filtered subspace iteration
• An implicit restarted Lanczos method for large symmetric eigenvalue problems
• Title not available (Why is that?)
• On the Rates of Convergence of the Lanczos and the Block-Lanczos Methods
• Solution of large eigenvalue problems in electronic structure calculations
• A spectrum slicing method for the Kohn-Sham problem
• Analysis of the symmetric Lanczos algorithm with reorthogonalization methods
• Convergence of Polynomial Restart Krylov Methods for Eigenvalue Computations
• Title not available (Why is that?)
• Kernel polynomial approximations for densities of states and spectral functions
• The Lanczos Algorithm with Selective Orthogonalization
• Electronic structure calculations for plane-wave codes without diagonalization
• Computation of Large Invariant Subspaces Using Polynomial Filtered Lanczos Iterations with Applications in Density Functional Theory
• A thick-restart Lanczos algorithm with polynomial filtering for Hermitian eigenvalue problems
• Computing partial spectra with least-squares rational filters
• Filtered Conjugate Residual‐type Algorithms with Applications

Cited In (7)

• Title not available (Why is that?)
• CUMODP
• Cucheb
• The Eigenvalues Slicing Library (EVSL): Algorithms, Implementation, and Software
• A GPU parallel randomized CUR compression method for the method of moments
• Stable Computation of Generalized Matrix Functions via Polynomial Interpolation
• gpuSPHASE -- a shared memory caching implementation for 2D SPH using CUDA

Uses Software

• CUDA
• MatrixMarket
• SparseMatrix
• CUBLAS
• CUSPARSE
• GitHub

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