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Journal of Grid Computing

, Volume 12, Issue 4, pp 681–690 | Cite as

Grid Computing with Relativistic Quantum Chemistry Software

Case Study of Code Adaptation and Effective Deployment
  • Miroslav IliašEmail author
  • Miroslav Dobrucký
Article
  • 177 Downloads

Abstract

We describe the adaptation of the scientific software DIRAC for the grid environment and provide the study of the code’s performance. The most effective approach for effective utilizing of the grid computing power is not relying upon program’s specific dependencies installed on grid servers, but rather in precise, local preparation of all necessary static executables and related scripting launchers. Running few functionality and performance tests before carrying out any production calculations with the code is recommended.

Keywords

DIRAC program suite Adaptation for grid computing Relativistic quantum chemistry Effective grid utilization Static executable 

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Copyright information

© Springer Science+Business Media Dordrecht 2014

Authors and Affiliations

  1. 1.Department of Chemistry, Faculty of Natural SciencesMatej Bel UniversityBanská BystricaSlovakia
  2. 2.Institute of InformaticsSlovak Academy of SciencesBratislavaSlovakia

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