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.
| Autorius: | Alexander Heinecke, Hans-Joachim Bungartz, Martin Horsch, Wolfgang Eckhardt, |
| Serija: | SpringerBriefs in Computer Science |
| Leidėjas: | Springer Nature Switzerland |
| Išleidimo metai: | 2015 |
| Knygos puslapių skaičius: | 88 |
| ISBN-10: | 331917147X |
| ISBN-13: | 9783319171470 |
| Formatas: | Knyga minkštu viršeliu |
| Kalba: | Anglų |
| Žanras: | Engineering: Mechanics of fluids |
Parašykite atsiliepimą apie „Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics“
