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@INPROCEEDINGS{Winkelmann:835038,
author = {Winkelmann, Jan and Di Napoli, Edoardo and Schleife,
Andre`},
title = {{O}ptimizing the {C}h{ASE} eigensolver for
{B}ethe-{S}alpeter computations},
reportid = {FZJ-2017-04908},
year = {2017},
abstract = {The Chebyshev Accelerated Subspace iteration Eigensolver
(ChASE) is an iterative eigensolver developed at the JSC by
the SimLab Quantum Materials. The solver mainly targets
sequences of dense eigenvalue problems as they arise in
Density Functional Theory, but can also work on the single
eigenproblem. ChASE leverages on the predominant use of BLAS
3 subroutines to achieve close-to-peak performance and
potentially achieve scalability over hundreds if not
thousands of computing nodes. We have recently succeeded to
integrate a version of the ChASE library within the Jena BSE
code. Preliminary comparison between ChASE and the conjugate
gradient eigensolver (KSCG), previously used by the Jena BSE
code, shows that ChASE can outperform KSCG with speedups up
to 5X. In this talk we illustrate our latest results and
give an outlook of the scientific problems that can be
tackled once the integration is successfully completed.},
month = {Jul},
date = {2017-07-17},
organization = {Joint Laboratory for Extreme-Scale
Computing Workshop, Urbana-Champaign
(USA), 17 Jul 2017 - 19 Jul 2017},
subtyp = {Invited},
cin = {JSC},
cid = {I:(DE-Juel1)JSC-20090406},
pnm = {511 - Computational Science and Mathematical Methods
(POF3-511) / Simulation and Data Laboratory Quantum
Materials (SDLQM) (SDLQM)},
pid = {G:(DE-HGF)POF3-511 / G:(DE-Juel1)SDLQM},
typ = {PUB:(DE-HGF)6},
url = {https://juser.fz-juelich.de/record/835038},
}