A Fault Tolerant Workflow for CPU Demanding Calculations
作者： A. Costantini , O. Gervasi , A. Laganà
DOI: 10.1007/978-3-642-21931-3_30
关键词:
摘要: In the paper application porting process developed for DL POLY package, using P-GRADE Grid Portal tool available in COMPCHEM, is described. For this purpose a new workflow stategy to perform long run calculations has been designed and set of visualization tools implemented.
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Tony Hey, Anthony J. G. Hey, Fran Berman, Geoffrey Fox, Grid Computing: Making the Global Infrastructure a Reality ,(2003)
Péter Kacsuk, Gergely Sipos, Multi-Grid, multi-user workflows in the P-GRADE Grid portal Journal of Grid Computing. ,vol. 3, pp. 221- 238 ,(2005) , 10.1007/S10723-005-9012-6
W. Smith, T.R. Forester, DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package Journal of Molecular Graphics. ,vol. 14, pp. 136- 141 ,(1996) , 10.1016/S0263-7855(96)00043-4
O. Gervasi, A. Laganà, SIMBEX: a portal for the a priori simulation of crossed beam experiments Future Generation Computer Systems. ,vol. 20, pp. 703- 715 ,(2004) , 10.1016/J.FUTURE.2003.11.028
A. P. Sutton, J. Chen, Long-range Finnis–Sinclair potentials Philosophical Magazine Letters. ,vol. 61, pp. 139- 146 ,(1990) , 10.1080/09500839008206493
Alessandro Costantini, Eduardo Gutierrez, Javier Lopez Cacheiro, Aurelio Rodriguez, Osvaldo Gervasi, Antonio Lagana, On the extension of the grid-empowered molecular science simulator: MD and visualisation tools International Journal of Web and Grid Services. ,vol. 6, pp. 141- 159 ,(2010) , 10.1504/IJWGS.2010.033789
Douglas Thain, Todd Tannenbaum, Miron Livny, Condor and the Grid grid computing. pp. 299- 335 ,(2003) , 10.1002/0470867167.CH11
O Gervasi, S Crocchianti, L Pacifici, D Skouteris, A Laganà, Towards the Grid design of the dynamics engine of a molecular simulator. International Conference on Computational Methods in Science and Engineering. pp. 1425- 1428 ,(2006) , 10.1201/B12066-178