Supporting NAMD application on the grid using GPE

Authors:
Rafał Kluszczyński;Piotr Bała
Affiliations:
Faculty of Mathematics and Computer Science, Nicolaus Copernicus University, Toruń, Poland;Faculty of Mathematics and Computer Science, Nicolaus Copernicus University, Toruń, Poland and Interdisciplinary Center for Mathematical and Computational Modelling, Warsaw University, Warsaw ...
Venue:
PPAM'07 Proceedings of the 7th international conference on Parallel processing and applied mathematics
Year:
2007

Citing 4
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Abstract

Molecular simulations are playing important role in understanding the mechanisms at microscopic level of all organisms. Increasing computer power available at single computers is still not enough for the molecular simulations. In this case, the grid middleware which has the ability to distribute calculations in a seamless and secure way over different computing systems becomes an immediate solution. In this paper we present GridBean developed for NAMD application which is commonly used for molecular simulations. The GridBean is designed with standards of Grid Programming Environment (GPE) currently being developed and implemented, based on the latest versions of Globus and UNICORE middlewares.