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Highly scalable sparse eigensolvers for large quantum physics problems on heterogeneous computing systems

Basermann, Achim and Thies, Jonas and Röhrig-Zöllner, Melven (2016) Highly scalable sparse eigensolvers for large quantum physics problems on heterogeneous computing systems. Platform for Advanced Scientific Computing Conference 2016 (PASC16), 8.-10. Juni 2016, Lausanne, Schweiz.

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Abstract

In the German Research Foundation 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. Within ESSEX the numerical methods cover widely applicable solvers such as classic Krylov, Jacobi-Davidson or recent FEAST methods and domain specific iterative schemes relevant for the ESSEX quantum physics applications. Using the ESSEX software framework, we present recent work on sparse eigenvalue solvers for heterogeneous computing systems with a focus on the difficult problem of finding interior eigenvalues. In this context, we also discuss the application of the CARP-CG method as a preconditioner for applications such as Graphene simulation.

Item URL in elib:https://elib.dlr.de/110049/
Document Type:Conference or Workshop Item (Speech)
Title:Highly scalable sparse eigensolvers for large quantum physics problems on heterogeneous computing systems
Authors:
AuthorsInstitution or Email of AuthorsAuthors ORCID iD
Basermann, AchimAchim.Basermann (at) dlr.dehttps://orcid.org/0000-0003-3637-3231
Thies, JonasJonas.Thies (at) dlr.deUNSPECIFIED
Röhrig-Zöllner, MelvenMelven.Roehrig-Zoellner (at) dlr.deUNSPECIFIED
Date:2016
Refereed publication:No
Open Access:Yes
Gold Open Access:No
In SCOPUS:No
In ISI Web of Science:No
Status:Published
Keywords:Exascale computing; sparse eigensolvers; scalability; node Performance; heterogeneous computing; quantum physics applications; performance engineering
Event Title:Platform for Advanced Scientific Computing Conference 2016 (PASC16)
Event Location:Lausanne, Schweiz
Event Type:international Conference
Event Dates:8.-10. Juni 2016
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Space
HGF - Program Themes:Space Technology
DLR - Research area:Raumfahrt
DLR - Program:R SY - Technik für Raumfahrtsysteme
DLR - Research theme (Project):R - Vorhaben SISTEC
Location: Köln-Porz
Institutes and Institutions:Institut of Simulation and Software Technology
Deposited By: Basermann, Dr.-Ing. Achim
Deposited On:11 Jan 2017 13:30
Last Modified:31 Jul 2019 20:07

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