A fast band-Krylov eigensolver for macromolecular functional motion simulation on multicore architectures and graphics processors

DOI10.1016/j.jcp.2016.01.007zbMath1352.65200OpenAlexW2225108871WikidataQ57975925 ScholiaQ57975925MaRDI QIDQ729507

Davor Davidović, Enrique S. Quintana-Ortí, José M. Badía, Pedro Alonso, José I. Aliaga, Jose Ramon López-Blanco, Pablo M. Chacón

Publication date: 20 December 2016

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2016.01.007

zbMATH Keywords

eigenvalue problemsKrylov subspace methodscomputational biologygraphics processorsmacromolecular machinesmulticore processors

Mathematics Subject Classification ID

Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Parallel numerical computation (65Y05) Numerical solution of eigenvalue problems involving ordinary differential equations (65L15) Numerical algorithms for specific classes of architectures (65Y10)

Related Items (1)

Look-ahead in the two-sided reduction to compact band forms for symmetric eigenvalue problems and the SVD

Uses Software

• LAPACK
• SBR Toolbox
• PLASMA
• ELPA
• iMod

Cites Work

• Exploring large macromolecular functional motions on clusters of multicore processors
• Solving dense generalized eigenproblems on multi-threaded architectures
• Algorithm 807
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