eprintid: 5651
rev_number: 40
eprint_status: archive
userid: 587
dir: disk0/00/00/56/51
datestamp: 2008-08-15 08:15:31
lastmod: 2015-07-23 09:33:51
status_changed: 2008-08-15 08:15:31
type: article
metadata_visibility: show
creators_name: Calleja, M.
creators_name: Bruin, R.
creators_name: Tucker, M.G.
creators_name: Dover, .M.T.
creators_name: Tyer, R.
creators_name: Blanshard, L.
creators_name: Kleese van Dam, K.
creators_name: Allen, R.J.
creators_name: Chapman, C.
creators_name: Emmerich, W.
creators_name: Wilson, P.
creators_name: Brodholt, J.
creators_name: Thandavan, A.
creators_name: Alexandrov, V.N.
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creators_id: CACHA62
creators_id: WJEMM47
creators_id: 
creators_id: JPBRO15
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title: Collaborative grid infrastructure for molecular simulations: the eMinerals minigrid as a prototype integrated compute and data grid
ispublished: pub
subjects: 8000
subjects: 10600
divisions: F57
keywords: Grid computing, e-science, virtual organization, storage resource broker, eMinerals, Condor
abstract: This paper describes a prototype grid infrastructure, called the “eMinerals minigrid”, for 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's 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 for both archiving data with metadata and making data available to other workers.
date: 2005-04
official_url: http://dx.doi.org/10.1080/08927020500067195
vfaculties: VMPS
oa_status: green
language: eng
primo: open
primo_central: open_green
doi: 10.1080/08927020500067195
lyricists_name: Chapman, C
lyricists_name: Emmerich, W
lyricists_name: Brodholt, J
lyricists_id: CACHA62
lyricists_id: WJEMM47
lyricists_id: JPBRO15
full_text_status: public
publication: Molecular Simulation
volume: 31
number: 5
pagerange: 303-313
refereed: TRUE
issn: 0892-7022
citation:        Calleja, M.;    Bruin, R.;    Tucker, M.G.;    Dover, .M.T.;    Tyer, R.;    Blanshard, L.;    Kleese van Dam, K.;                             ... Alexandrov, V.N.; + view all <#>        Calleja, M.;  Bruin, R.;  Tucker, M.G.;  Dover, .M.T.;  Tyer, R.;  Blanshard, L.;  Kleese van Dam, K.;  Allen, R.J.;  Chapman, C.;  Emmerich, W.;  Wilson, P.;  Brodholt, J.;  Thandavan, A.;  Alexandrov, V.N.;   - view fewer <#>    (2005)    Collaborative grid infrastructure for molecular simulations: the eMinerals minigrid as a prototype integrated compute and data grid.                   Molecular Simulation , 31  (5)   pp. 303-313.    10.1080/08927020500067195 <https://doi.org/10.1080/08927020500067195>.       Green open access   
 
document_url: https://discovery.ucl.ac.uk/id/eprint/5651/1/5651.pdf