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Persistent URL	http://purl.org/net/epubs/work/36708
Record Status	Checked
Record Id	36708
Title	Collaborative grid infrastructure for the molecular simulations: The eMinerals Minigrid as a prototype integrated compute and data grid
Contributors	M Calleja (Cambridge U.), R Bruin (Cambridge U.), MG Tucker (Cambridge U.), MT Dove (Cambridge U.), R Tyer, L Blanshard, K Kleese van Dam (CCLRC Daresbury Lab.), RJ Allan (CCLRC Daresbury Lab.), C Chapman (UCL), W Emmerich (UCL), J Broadholt (UCL), A Thandavan (Reading U.), VN Alexandrov (Reading U.)
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)

Type	Details	URI(s)	Local file(s)	Year
Journal Article	Mol Simul 31, no. 5 (2005): 303-313.	doi:10.1080/08927020500067195		2005