1 research outputs found
Open-architecture Implementation of Fragment Molecular Orbital Method for Peta-scale Computing
We present our perspective and goals on highperformance computing for
nanoscience in accordance with the global trend toward "peta-scale computing."
After reviewing our results obtained through the grid-enabled version of the
fragment molecular orbital method (FMO) on the grid testbed by the Japanese
Grid Project, National Research Grid Initiative (NAREGI), we show that FMO is
one of the best candidates for peta-scale applications by predicting its
effective performance in peta-scale computers. Finally, we introduce our new
project constructing a peta-scale application in an open-architecture
implementation of FMO in order to realize both goals of highperformance in
peta-scale computers and extendibility to multiphysics simulations.Comment: 6 pages, 9 figures, proceedings of the 2nd IEEE/ACM international
workshop on high performance computing for nano-science and technology
(HPCNano06