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Exascale Sparse Eigensolver Developments for Quantum Physics Applications

Basermann, Achim und Thies, Jonas (2019) Exascale Sparse Eigensolver Developments for Quantum Physics Applications. International conference on Mathematical modelling and computational methods in applied sciences and engineering (Modelling 2019), 2019-09-16 - 2019-09-20, Olomouc, Czech Republic.

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Kurzfassung

In the German Research Foundation (DFG) project ESSEX (Equipping Sparse Solvers for Exascale), we develop scalable sparse eigensolver libraries for large quantum physics problems. Partners in ESSEX are the Universities of Erlangen, Greifswald, Wuppertal, Tokyo and Tsukuba as well as DLR. The project pursues a coherent co-design of all software layers where a holistic performance engineering process guides code development across the classic boundaries of application, numerical method and basic kernel library. The basic building block library supports an elaborate MPI+X approach that is able to fully exploit hardware heterogeneity while exposing functional parallelism and data parallelism to all other software layers in a flexible way. The advanced building blocks were defined and employed by the developments at the algorithms layer. Here, ESSEX provides state-of-the-art library implementations of classic linear sparse eigenvalue solvers including block Jacobi-Davidson, Kernel Polynomial Method (KPM), and Chebyshev filter diagonalization (ChebFD) that are ready to use for production on modern heterogeneous compute nodes with best performance and numerical accuracy. Research in this direction included the development of appropriate parallel adaptive AMG software for the block Jacobi-Davidson method. Contour integral-based approaches were also covered in ESSEX and were extended in two directions: The FEAST method was further developed for improved scalability, and the Sakurai-Sugiura method (SSM) method was extended to nonlinear sparse eigenvalue problems. These developments were strongly supported by Japanese project partners from University of Tokyo, Computer Science, and University of Tsukuba, Applied Mathematics. The applications layer delivers scalable solutions for conservative (Hermitian) and dissipative (non-Hermitian) quantum systems with strong links to optics and biology and to novel materials such as graphene and topological insulators.

elib-URL des Eintrags:https://elib.dlr.de/133372/
Dokumentart:Konferenzbeitrag (Vortrag)
Titel:Exascale Sparse Eigensolver Developments for Quantum Physics Applications
Autoren:
AutorenInstitution oder E-Mail-AdresseAutoren-ORCID-iDORCID Put Code
Basermann, AchimAchim.Basermann (at) dlr.dehttps://orcid.org/0000-0003-3637-3231NICHT SPEZIFIZIERT
Thies, JonasJonas.Thies (at) dlr.deNICHT SPEZIFIZIERTNICHT SPEZIFIZIERT
Datum:19 September 2019
Referierte Publikation:Nein
Open Access:Ja
Gold Open Access:Nein
In SCOPUS:Nein
In ISI Web of Science:Nein
Status:veröffentlicht
Stichwörter:Exascale computing; sparse eigensolvers; quantum physics; performance engineering; MPI+X parallelization
Veranstaltungstitel:International conference on Mathematical modelling and computational methods in applied sciences and engineering (Modelling 2019)
Veranstaltungsort:Olomouc, Czech Republic
Veranstaltungsart:internationale Konferenz
Veranstaltungsbeginn:16 September 2019
Veranstaltungsende:20 September 2019
Veranstalter :Institute of Geonics of the Czech Academy of Sciences, Ostrava, Czech Republic; Institute of Mathematics of the Czech Academy of Sciences, Prague, Czech Republic; Technical University of Ostrava, Czech Republic
HGF - Forschungsbereich:Luftfahrt, Raumfahrt und Verkehr
HGF - Programm:Raumfahrt
HGF - Programmthema:Technik für Raumfahrtsysteme
DLR - Schwerpunkt:Raumfahrt
DLR - Forschungsgebiet:R SY - Technik für Raumfahrtsysteme
DLR - Teilgebiet (Projekt, Vorhaben):R - Vorhaben SISTEC (alt)
Standort: Köln-Porz
Institute & Einrichtungen:Institut für Simulations- und Softwaretechnik > High Performance Computing
Institut für Simulations- und Softwaretechnik
Hinterlegt von: Basermann, Dr.-Ing. Achim
Hinterlegt am:09 Jan 2020 09:34
Letzte Änderung:24 Apr 2024 20:36

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