Supercomputing for Molecular Dynamics Simulations Handling Multi-Trillion Particles in Nanofluidics /

• Main Authors: Heinecke, Alexander (Author), Eckhardt, Wolfgang (Author), Horsch, Martin (Author), Bungartz, Hans-Joachim (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Cham : Springer International Publishing : Imprint: Springer, 2015.
• Series: SpringerBriefs in Computer Science,
• Subjects: Computer science.; Special purpose computers.; Computer system failures.; Computer simulation.; Fluid mechanics.; Computer Science.; System Performance and Evaluation.; Simulation and Modeling.; Engineering Fluid Dynamics.; Special Purpose and Application-Based Systems.

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 re...