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| Hauptseite > Publikationsdatenbank > Optimizing the ChASE eigensolver for Bethe-Salpeter computations > print |
| Hauptseite > Publikationsdatenbank > Optimizing the ChASE eigensolver for Bethe-Salpeter computations > print |
| 001 | 835038 | ||
| 005 | 20221109161715.0 | ||
| 024 | 7 | _ | |a 2128/14945 |2 Handle |
| 037 | _ | _ | |a FZJ-2017-04908 |
| 041 | _ | _ | |a English |
| 100 | 1 | _ | |a Winkelmann, Jan |0 P:(DE-Juel1)167415 |b 0 |e Corresponding author |
| 111 | 2 | _ | |a Joint Laboratory for Extreme-Scale Computing Workshop |g JLESC |c Urbana-Champaign |d 2017-07-17 - 2017-07-19 |w USA |
| 245 | _ | _ | |a Optimizing the ChASE eigensolver for Bethe-Salpeter computations |
| 260 | _ | _ | |c 2017 |
| 336 | 7 | _ | |a Conference Paper |0 33 |2 EndNote |
| 336 | 7 | _ | |a Other |2 DataCite |
| 336 | 7 | _ | |a INPROCEEDINGS |2 BibTeX |
| 336 | 7 | _ | |a conferenceObject |2 DRIVER |
| 336 | 7 | _ | |a LECTURE_SPEECH |2 ORCID |
| 336 | 7 | _ | |a Conference Presentation |b conf |m conf |0 PUB:(DE-HGF)6 |s 1500897520_6038 |2 PUB:(DE-HGF) |x Invited |
| 520 | _ | _ | |a 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. |
| 536 | _ | _ | |a 511 - Computational Science and Mathematical Methods (POF3-511) |0 G:(DE-HGF)POF3-511 |c POF3-511 |f POF III |x 0 |
| 536 | _ | _ | |a Simulation and Data Laboratory Quantum Materials (SDLQM) (SDLQM) |0 G:(DE-Juel1)SDLQM |c SDLQM |f Simulation and Data Laboratory Quantum Materials (SDLQM) |x 2 |
| 700 | 1 | _ | |a Di Napoli, Edoardo |0 P:(DE-Juel1)144723 |b 1 |
| 700 | 1 | _ | |a Schleife, Andre` |0 P:(DE-HGF)0 |b 2 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/835038/files/jlesc_ncsa_2017_chase_bse.pdf |y OpenAccess |
| 909 | C | O | |o oai:juser.fz-juelich.de:835038 |p openaire |p open_access |p VDB |p driver |
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| 913 | 1 | _ | |a DE-HGF |b Key Technologies |1 G:(DE-HGF)POF3-510 |0 G:(DE-HGF)POF3-511 |2 G:(DE-HGF)POF3-500 |v Computational Science and Mathematical Methods |x 0 |4 G:(DE-HGF)POF |3 G:(DE-HGF)POF3 |l Supercomputing & Big Data |
| 914 | 1 | _ | |y 2017 |
| 915 | _ | _ | |a OpenAccess |0 StatID:(DE-HGF)0510 |2 StatID |
| 920 | 1 | _ | |0 I:(DE-Juel1)JSC-20090406 |k JSC |l Jülich Supercomputing Center |x 0 |
| 980 | _ | _ | |a conf |
| 980 | _ | _ | |a VDB |
| 980 | _ | _ | |a UNRESTRICTED |
| 980 | _ | _ | |a I:(DE-Juel1)JSC-20090406 |
| 980 | 1 | _ | |a FullTexts |
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