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Persistent URL http://purl.org/net/epubs/work/36708
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Record Id 36708
Title Collaborative grid infrastructure for the molecular simulations: The eMinerals Minigrid as a prototype integrated compute and data grid
Abstract The paper describes a prototype grid infrastructure called the "eMinerals Minigrid", for the molecular simulation scientists, which is based on an integration of shared compute and data resources. We describe the key components, namely the use of Condor pools, Linux/Unix clusters with PBS and IBM Loadleveller job handling tools, the use of Globus for security handling, the use of Condor-G tools for wrapping globus job submit commands, Condor's DAGman tool for handling workflow, the Storage Resource Broker for handling data and the CCLRC dataportal and associated tools both for archiving data with metadata and making data available to other workers.
Organisation CCLRC , ESC , ESC-DMG , ESC-GTG , ESC-DBS
Keywords Natural environment , DataPortal , metadata , SRB , eMinerals
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Language English (EN)
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Journal Article Mol Simul 31, no. 5 (2005): 303-313. doi:10.1080/08927020500067195 2005