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From Proposal to Production: Lessons Learned Developing the Computational Chemistry Grid Cyberinfrastructure

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Abstract

The Computational Chemistry Grid (CCG) is a three-year, National Middleware Initiative program to develop cyberinfrastructure for the chemistry community. CCG is led by the University of Kentucky and involves collaborating sites at Louisiana State University, Ohio Supercomputing Center, Texas Advanced Computing Center, and the National Center for Supercomputing Applications. This paper discusses experiences developing the CCG cyberinfrastructure in the first year of the project. Special attention is paid to technological issues faced as well as issues raised running the CCG in production. The final section of the paper looks forward to challenges foreseen in the remaining two years.

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Authors and Affiliations

  1. Center for Computation & Technology, LSU, 332 Johnston Hall, Baton Rouge, LA, 70810, USA

    Rion Dooley

  2. Texas Advanced Computing Center, UTA, Austin, TX, USA

    Kent Milfeld & Chona Guiang

  3. National Center for Supercomputing Applications, UIUC, Champaign, IL, USA

    Sudhakar Pamidighantam

  4. Center for Computation & Technology, Department of Computer Science, LSU, 332 Johnston Hall, Baton Rouge, LA, 70810, USA

    Gabrielle Allen

Authors
  1. Rion Dooley
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  2. Kent Milfeld
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  3. Chona Guiang
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  4. Sudhakar Pamidighantam
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  5. Gabrielle Allen
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Corresponding author

Correspondence to Rion Dooley.

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September 1, 2005.

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Dooley, R., Milfeld, K., Guiang, C. et al. From Proposal to Production: Lessons Learned Developing the Computational Chemistry Grid Cyberinfrastructure. J Grid Computing 4, 195–208 (2006). https://doi.org/10.1007/s10723-006-9043-7

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  • DOI: https://doi.org/10.1007/s10723-006-9043-7

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