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A Fault Tolerant Workflow for CPU Demanding Calculations

  • A. Costantini
  • O. Gervasi
  • A. Laganà
Part of the Lecture Notes in Computer Science book series (LNCS, volume 6784)

Abstract

In the paper the application porting process developed for the DL_POLY package, using the 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 a set of visualization tools has been implemented.

Keywords

Fault Tolerant Grid Resource Grid Environment Virtual Organization Grid Infrastructure 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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References

  1. 1.
  2. 2.
  3. 3.
    QDYN and ELAMS are respectively the working group n. 2 and n. 3 of the CMST COST Action D37, http://www.cost.esf.org/index.php?id=189&action_number=D37
  4. 4.
    Gervasi, O., Laganà, A.: SIMBEX: a Portal for the a priori simulation of crossed beam experiments. Future Generation Computer Systems 20, 703–715 (2004)CrossRefGoogle Scholar
  5. 5.
    Gervasi, O., Crocchianti, S., Pacifici, L., Skouteris, D., Laganà, A.: Towards the Grid design of the dynamics engine of a molecular simulator. Lecture Series in Computer and Computational Science, vol. 7, pp. 1425–1428 (2006)Google Scholar
  6. 6.
    Smith, W., Forester, T.R.: DL_POLY2: a general-purpose parallel molecular dynamics simulation package. J. Mol. Graph. 14(3), 136–141 (1996)CrossRefGoogle Scholar
  7. 7.
    Sipos, G., Kacsuk, P.: Multi-Grid, Multi-User Workflows in the P-GRADE Portal. Journal of Grid Computing 3, 221–238 (2005)CrossRefGoogle Scholar
  8. 8.
    Thain, D., Tannenbaum, T., Livny, M.: Condor and the Grid in Fran Berman. In: Hey, A.J.G., Fox, G. (eds.) Grid Computing: Making The Global Infrastructure a Reality, pp. 299–336. John Wiley, Chichester (2003)CrossRefGoogle Scholar
  9. 9.
    P-GRADE Grid Portal, http://portal.p-grade.hu
  10. 10.
    Sutton, A.P., Chen, J.: Phil. Mag. Lett. 6, 139 (1990)CrossRefGoogle Scholar
  11. 11.
  12. 12.
    Costantini, A., Gutierrez, E., Lopez Cacheiro, J., Rodrguez, A., Gervasi, O., Lagan, A.: On the extension of the grid-empowered molecular science simulator: MD and visualisation tools. Int. J. of Web and Grid Services 6(2), 141–159 (2010)CrossRefGoogle Scholar
  13. 13.
  14. 14.
  15. 15.
  16. 16.
    NFS File System, http://www.en.wikipedia.org/wiki/Network_File_System_(protocol)Google Scholar
  17. 17.
    VNC Remote Desktop, http://www.tightvnc.com/

Copyright information

© Springer-Verlag Berlin Heidelberg 2011

Authors and Affiliations

  • A. Costantini
    • 1
    • 2
  • O. Gervasi
    • 2
  • A. Laganà
    • 1
  1. 1.Department of ChemistryUniversity of PerugiaPerugiaItaly
  2. 2.Department of Math. and Computer ScienceUniversity of PerugiaPerugiaItaly

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