Parallelization of MD algorithms and load balancing

Alexander Heinecke, Wolfgang Eckhardt, Martin Horsch, Hans Joachim Bungartz

Publikation: Beitrag in Buch/Bericht/KonferenzbandKapitelBegutachtung

Abstract

MD simulation in process engineering features enormous computational demands, and therefore requires efficient parallelization techniques. This chapter describes ls1 mardyn ’s parallelization approach for shared-memory and distributed-memory architectures. This is done by first defining today’s computing architectures and their governing design principles: Heterogeneity, massive amounts of cores and data parallelism. Based on this, we are then able to reengineer ls1 mardyn in such a way that it can optimally leverage important hardware features, and describe our parallelization approach for shared- and distributed-memory systems at the example of the Intel Xeon processor and the Intel Xeon Phi coprocessor, respectively. We close this section by describing load-balancing techniques in case of a distributed-memory parallelization and heterogeneous particle distributions in the computational domain.

OriginalspracheEnglisch
TitelSpringerBriefs in Computer Science
Herausgeber (Verlag)Springer
Seiten31-44
Seitenumfang14
Auflage9783319171470
DOIs
PublikationsstatusVeröffentlicht - 2015

Publikationsreihe

NameSpringerBriefs in Computer Science
Nummer9783319171470
Band0
ISSN (Print)2191-5768
ISSN (elektronisch)2191-5776

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