Paper Info
Title
The Grid Enablement and Sustainable Simulation of Multiscale Physics Applications
Abstract
The understanding of H diffusion in materials is pivotal to designing suitable processes. Though a nudged elastic band (NEB)+molecular dynamics (MD)/quantum mechanics (QM) algorithm has been developed to simulate H diffusion in materials by our group, it is often not computationally feasible for large-scale models on a conventional single system. We thus gridify the NEB+MD/QM algorithm on the top of an integrated framework developed by our group. A two days simulation on H diffusion in alumina has been successfully carried out over a Trans-Pacific Grid infrastructure consisting of supercomputers provided by TeraGrid and AIST. In this paper, we describe the NEB+MD/QM algorithm, briefly introduce the framework middleware, present the grid enablement work, and report the techniques to achieve fault-tolerance and load-balance for sustainable simulation. We believe our experience is of benefit to both middleware developers and application users.
Year
DOI
Venue
2009
10.1109/CCGRID.2009.33
CCGrid
Keywords
Field
DocType
grid computing,middleware,physics computing,quantum theory,H diffusion,fault-tolerance,framework middleware,grid enablement,load-balance,molecular dynamics,multiscale physics applications,nudged elastic band,quantum mechanics,sustainable simulation,trans-pacific grid infrastructure,Fault Tolerence,Grid Enablement,Large Scale Computation,Load Balance,Long Time Computation,MD/QM+NEB,TeraGrid
Middleware,TeraGrid,Grid computing,Load balancing (computing),Computer science,Server,Fault tolerance,Process control,Grid,Distributed computing
Conference
Citations 
PageRank 
References 
0
0.34
5
Authors
6
Name
Order
Citations
PageRank
Yingwen Song132.19
Yoshio Tanaka213720.96
Hiroshi Takemiya311816.33
Aiichiro Nakano427947.53
Shuji Ogata5568.22
Satoshi Sekiguchi666669.80