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A Software Infrastructure for Solving Quantum Physics Problems on Extremely Parallel Systems

Basermann, Achim and Thies, Jonas and Röhrig-Zöllner, Melven (2017) A Software Infrastructure for Solving Quantum Physics Problems on Extremely Parallel Systems. SIAM Conference on Computational Science and Engineering, 27. Feb. - 2. Mär. 2017, Atlanta, USA.

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Official URL: http://meetings.siam.org/sess/dsp_talk.cfm?p=81368

Abstract

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 ESSEX Sparse Sover Repository (ESSR) follows a distributed software development strategy using the distributed version control system Git and supports application driven fault tolerance. ESSR includes the kernel library GHOST (Gerneral, Hybrid, and Optimized Sparse Toolit) and the flexible software framework PHIST for implementing iterative methods on HPC systems. PHIST (Pipelined Hybrid Iterative Solver Toolkit) has been developed containing an interface to the existing numerical software framework Trilinos originally. PHIST also includes adapters to basic building block libraries so that high-level algorithm developments can benefit from high-performance kernel implementations, e.g. sparse matrix-vector multiplication kernels. Moreover, PHIST provides systematic and continuous testing of all software components and allows us to develop stable implementations of innovative iterative methods in an evolving hard- and software environment.

Item URL in elib:https://elib.dlr.de/117998/
Document Type:Conference or Workshop Item (Speech)
Title:A Software Infrastructure for Solving Quantum Physics Problems on Extremely Parallel 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.dehttps://orcid.org/0000-0001-9851-5886
Date:1 March 2017
Refereed publication:No
Open Access:Yes
Gold Open Access:No
In SCOPUS:No
In ISI Web of Science:No
Status:Published
Keywords:Extremely Parallel Systems; Sparse Eigensolvers; Software Infrastructure; Quantum Physics Problems; Performance Engineering; Software Engineering
Event Title:SIAM Conference on Computational Science and Engineering
Event Location:Atlanta, USA
Event Type:international Conference
Event Dates:27. Feb. - 2. Mär. 2017
Organizer:SIAM
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 > High Performance Computing
Institut of Simulation and Software Technology
Deposited By: Basermann, Dr.-Ing. Achim
Deposited On:12 Jan 2018 14:03
Last Modified:31 Jul 2019 20:15

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