SCHEDULE: NOV 15-20, 2015

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Scalable and Highly SIMD-Vectorized Molecular Dynamics Simulation Involving Multiple Bubble Nuclei

SESSION: Regular & ACM Student Research Competition Poster Reception

EVENT TYPE: Posters, Receptions, ACM Student Research Competition

EVENT TAG(S): HPC Beginner Friendly, Regular Poster

TIME: 5:15PM - 7:00PM

SESSION CHAIR(S): Michela Becchi, Manish Parashar, Dorian C. Arnold

AUTHOR(S):Hiroshi Watanabe, Satoshi Morita, Hajime Inaoka, Haruhiko Matsuo, Synge Todo, Nobuyasu Ito

ROOM:Level 4 - Lobby

ABSTRACT:

While understanding the behaviors of gas-liquid multiphase systems is important for the field of engineering, the simulation of systems involving multiple bubble nuclei is challenging since (1) the system involves travels, creations and annihilations of phase boundaries, and (2) a huge system is required in order to investigate the interactions between bubbles. We overcame the above difficulties by implementing a scalable molecular dynamics code adopting hybrid parallelism which allows us to perform simulations involving 13.7 billion Lennard-Jones atoms on the full nodes of the K computer. The simulation code is highly tuned to SPARC architecture and 98.8 of arithmetic operations are SIMDized. A performance of 2.44 PFlops representing 23.0 of peak is achieved. We present an unprecedented simulation of cavitation involving multiple bubble nuclei. The detailed behavior of bubbles in the early stage of cavitation is captured for the first time.

Chair/Author Details:

Michela Becchi, Manish Parashar, Dorian C. Arnold (Chair) - University of Missouri|Rutgers University|University of New Mexico|

Hiroshi Watanabe - The University of Tokyo

Satoshi Morita - The University of Tokyo

Hajime Inaoka - RIKEN Advanced Institute for Computational Science

Haruhiko Matsuo - Research Organization for Information Science and Technology

Synge Todo - The University of Tokyo

Nobuyasu Ito - The University of Tokyo

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