Grid Enablement and Performance Evaluation for Simulators of Nanoscale Measurements of Material Properties

Authors:
Yingwen Song;Satoshi Watanabe
Affiliations:
University of Tokyo;University of Tokyo and and CREST, JST
Venue:
HPCASIA '05 Proceedings of the Eighth International Conference on High-Performance Computing in Asia-Pacific Region
Year:
2005

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Abstract

We have enabled an MPI-based parallel program which is developed by our group to simulate nanoscale measurements of materials properties for a grid computing environment. The performance of this program has been evaluated based on three kinds of MPI middleware, MPICH-G2, GridMPI, and PACX-MPI. The speedup of this program on the grid is comparable with that obtained on supercomputers when CPU number is less than 200, and PACX-MPI gives the best performance and reliability among the three kinds of middleware in our study.