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Porting of GROMACS Package into the Grid Environment: Testing of a New Distribution Strategy

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Computational Science and Its Applications – ICCSA 2010 (ICCSA 2010)

Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 6019))

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Abstract

The paper describes the application porting process onto the EGEE grid of GROMACS package that was carried out using the P-GRADE Grid Portal tool implemented in COMPCHEM. For this purpose a new stategy to access local and distributed resources has been designed and a set of visualization tools has been implemented in order to help chemical insight.

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References

  1. COMPCHEM, http://compchem.unipg.it

  2. EGEE (Enabling Grids for E-Science in Europe), http://public.eu-egee.org

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  15. http://ant.apache.org

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Author information

Authors and Affiliations

  1. Department of Chemistry, University of Perugia, Perugia, Italy

    Alessandro Costantini & Antonio Laganà

  2. Department of Math. and Computer Science, University of Perugia, Perugia, Italy

    Alessandro Costantini & Osvaldo Gervasi

  3. CESGA, Santiago de Compostela, Spain

    Eduardo Gutierrez, Javier Lopez Cacheiro & Aurelio Rodriguez

Authors
  1. Alessandro Costantini
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  2. Eduardo Gutierrez
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  3. Javier Lopez Cacheiro
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  4. Aurelio Rodriguez
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  5. Osvaldo Gervasi
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  6. Antonio Laganà
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Editor information

Editors and Affiliations

  1. Clayton School of Information Technology, Monash University, VIC 3800, Clayton, Australia

    David Taniar

  2. Department of Mathematics and Computer Science, University of Perugia, Via Vanvitelli, 1, 06123, Perugia, Italy

    Osvaldo Gervasi

  3. L.I.S.U.T. - D.A.P.I.T., University of Basilicata, Viale dell’Ateneo Lucano 10, 85100, Potenza, Italy

    Beniamino Murgante

  4. Department of Computer Science and Computer Engineeering, LaTrobe University, VIC 3086, Bundoora, Australia

    Eric Pardede

  5. Department of Intelligent Informatics, Kyushu Sangyo University, 813-8503, Fukuoka, Japan

    Bernady O. Apduhan

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© 2010 Springer-Verlag Berlin Heidelberg

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Costantini, A., Gutierrez, E., Cacheiro, J.L., Rodriguez, A., Gervasi, O., Laganà, A. (2010). Porting of GROMACS Package into the Grid Environment: Testing of a New Distribution Strategy. In: Taniar, D., Gervasi, O., Murgante, B., Pardede, E., Apduhan, B.O. (eds) Computational Science and Its Applications – ICCSA 2010. ICCSA 2010. Lecture Notes in Computer Science, vol 6019. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-12189-0_4

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  • DOI: https://doi.org/10.1007/978-3-642-12189-0_4

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-12188-3

  • Online ISBN: 978-3-642-12189-0

  • eBook Packages: Computer ScienceComputer Science (R0)

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