This work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn, a simulation program for engineering applications. The text focuses strictly on HPC-related aspects, covering implementation on HPC architectures, taking Intel Xeon and Intel Xeon Phi clusters as representatives of current platforms. The work describes distributed and shared-memory parallelization on these platforms, including load balancing, with a particular focus on the efficient implementation of the compute kernels. The text also discusses the software-architecture of the resulting code.
Reihe
Sprache
Verlagsort
Verlagsgruppe
Springer International Publishing
Illustrationen
22
13 farbige Abbildungen, 22 s/w Abbildungen
X, 76 p. 35 illus., 13 illus. in color.
Dateigröße
ISBN-13
978-3-319-17148-7 (9783319171487)
DOI
10.1007/978-3-319-17148-7
Schweitzer Klassifikation
