Artikel in Tagungsband INPROC-2018-50

Bibliograph.
Daten
Hirschmann, Steffen; Lahnert, Michael; Schober, Carolin; Brunn, Malte; Mehl, Miriam; Pflüger, Dirk: Load-Balancing and Spatial Adaptivity for Coarse-Grained Molecular Dynamics Applications.
In: Nagel, Wolfgang E. (Hrsg); Kröner, Dietmar H. (Hrsg); Resch, Michael M. (Hrsg): High Performance Computing in Science and Engineering '18.
Universität Stuttgart, Fakultät Informatik, Elektrotechnik und Informationstechnik.
S. 1-510, englisch.
Springer International Publishing, Oktober 2018.
ISBN: 978-3-030-13324-5; DOI: 10.1007/978-3-030-13325-2.
Artikel in Tagungsband (Konferenz-Beitrag).
CR-Klassif.G.1.0 (Numerical Analysis General)
Kurzfassung

We present our approach for a scalable implementation of coupled soft matter simulations for inhomogeneous applications based on the simulation package ESPResSo and an extended version of the adaptive grid framework p4est. Our main contribution in this paper is the development and implementation of a joint partitioning of two or more distinct octree-based grids based on the concept of a finest common tree. This concept guarantees that, on all grids, the same process is responsible for each point in space and, thus, avoids communication of data in overlapping volumes handled in different partitions. We achieve up to 85 % parallel efficiency in a weak scaling setting. Our proposed algorithms take only a small fraction of the overall runtime of grid adaption.

Volltext und
andere Links
PDF (313955 Bytes)
Abteilung(en)Universität Stuttgart, Institut für Parallele und Verteilte Systeme, Simulation großer Systeme
Eingabedatum6. Februar 2019
   Publ. Institut   Publ. Informatik