Supercomputing for Molecular Dynamics Simulations : Handling Multi-Trillion Particles in Nanofluidics / / by Alexander Heinecke, Wolfgang Eckhardt, Martin Horsch, Hans-Joachim Bungartz

• Autore: Heinecke Alexander
• Pubblicazione: Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015
• Edizione: 1st ed. 2015.
• Descrizione fisica: 1 online resource (83 p.)
• Disciplina: 004
• Soggetto topico: Computer system failures; Computer simulation; Fluid mechanics; Computers, Special purpose; System Performance and Evaluation; Simulation and Modeling; Engineering Fluid Dynamics; Special Purpose and Application-Based Systems
• Persona (resp. second.): EckhardtWolfgang; HorschMartin; BungartzHans-Joachim
• Note generali: Description based upon print version of record.
• Nota di bibliografia: Includes bibliographical references at the end of each chapters.
• Nota di contenuto: Introduction -- Molecular Dynamics Simulation -- Parallelization of MD Algorithms and Load Balancing -- Efficient Implementation of the Force Calculation in MD Simulations -- Experiments -- Conclusion.
• Sommario/riassunto: 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.
• Titolo autorizzato: Supercomputing for Molecular Dynamics Simulations
• ISBN: 3-319-17148-8
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Inglese
• Record Nr.: 9910299244203321
• Lo trovi qui: Univ. Federico II
• Serie: SpringerBriefs in Computer Science, . 2191-5768