Okazaki-lab, Department of Materials Chemistry, Graduate School of Engineering, Nagoya University

Japanese

Ⅳ. DEVELOPMENT OF MODYLAS

Highly parallelized general purpose MD simulation software, MODYLAS, has been developed as a part of K-computer project. The K-computer at RIKEN is equipped with about 80,000 nodes and 640,000 cores connected by 3D-torus communication network. The MODYLAS can calculate one MD step for ten million atom system in about 5 ms. The program is opened at a website (www.modylas.org). The development is continued in post-K computer project and the MODYLAS will be renewed to perform MD calculation much faster than the present one.

Fig. The K-computer at RIKEN equipped with 80,000 nodes and 640,000 cores.

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