A Parallel and Scalable Iterative Solver for Sequences of Dense Eigenproblems Arising in FLAPW

Autor: Berljafa, Mario, Di Napoli, Edoardo

In one of the most important methods in Density Functional Theory - the Full-Potential Linearized Augmented Plane Wave (FLAPW) method - dense generalized eigenproblems are organized in long sequences. Moreover each eigenproblem is strongly correlated

Externí odkaz: http://arxiv.org/abs/1305.5120

Parallelization of the rational Arnoldi algorithm

Autor: Berljafa, Mario, Guettel, Stefan

Publikováno v: Berljafa, M & Guettel, S 2017, ' Parallelization of the rational Arnoldi algorithm ', SIAM Journal on Scientific Computing . https://doi.org/10.1137/16M1079178

Rational Krylov methods are applicable to a wide range of scientific computing problems, and the rational Arnoldi algorithm is a commonly used procedure for computing an orthonormal basis of a rational Krylov space. Typically, the computationally mos

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3818::3e5fafdd51b1b3f2e8c70536e0a06fb2
https://www.research.manchester.ac.uk/portal/en/publications/parallelization-of-the-rational-arnoldi-algorithm(0ba5f9b9-7815-4584-bf9a-a57db4d86b1e).html

The RKFIT algorithm for nonlinear rational approximation

Autor: Berljafa, Mario, Güttel, Stefan

Publikováno v: Berljafa, M & Güttel, S 2017, ' The RKFIT algorithm for nonlinear rational approximation ', SIAM Journal on Scientific Computing, vol. 39, no. 5, pp. A2049-A2071 . https://doi.org/10.1137/15M1025426

The RKFIT algorithm outlined in [M. Berljafa and S. Guttel, Generalized rational Krylov decompositions with an application to rational approximation, SIAM J. Matrix Anal. Appl., 2015] is a Krylov-based approach for solving nonlinear rational least s

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3818::c89fd6ca0ccf43d9a4297223f87a7b5e
https://doi.org/10.1137/15M1025426

Enabling Large Scale LAPW DFT Calculations by a Scalable Iterative Eigensolver

Autor: Di Napoli, Edoardo, Wortmann, Daniel, Berljafa, Mario

Publikováno v: SIAM Conference on Computational Science & Engineering, SIAM CSE 15, Salt Lake City, USA, 2015-03-14-2015-03-18

In LAPW-based methods a sequence of dense generalized eigenvalue problems appears. Traditionally these problems were solved using direct eigensolvers from standard libraries like ScaLAPACK. We developed a subspace iteration method pre-conditioned wit

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3364::af2aca5d8cd7deda7fcfda5217794433
https://juser.fz-juelich.de/record/189021

Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.