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Environment from the Molecular Level
A NERC eScience testbed project
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UCL condor pool
A large Condor pool at University College London was put together by members of the eMinerals project in collaboration with the Information Systems group at UCL. This pool consists of 930 teaching PCs running Windows, each with either 256 or 512 MB RAM. Since each of these machines act as a client to a Windows Terminal Server, little of their individual processing power is used by student users. The UCL Condor pool has a small number of submit nodes, of which the UCL lake gatekeeper is one.
General references
Papers that describe the eMinerals science areas are:
Environment from the molecular level: an escience testbed project.
MT Dove, M Calleja, J Wakelin, K Trachenko, G Ferlat, P Murray-Rust, NH de Leeuw, Z Du, GD Price, PB Wilson, JP Brodholt, M Alfredsson, A Marmier, RP Tyer, LJ Blanshard, RJ Allan, K Kleese van Dam, IT Todorov, W Smith, VN Alexandrov, GJ Lewis, A Thandavan, SM Hasan.
Proceedings of UK e-Science All Hands Meeting 2003, (EPSRC, ISBN 1-904425-11-9) pp 302–305
Grid computing and molecular simulations: the vision of the eMinerals project.
MT Dove and NH de Leeuw.
Molecular Simulations 31, 297–301, 2005
Collaborative grid infrastructure for molecular simulations: The eMinerals minigrid as a prototype integrated compute and data grid.
M Calleja, R Bruin, MG Tucker, MT Dove, RP Tyer, LJ Blanshard, K Kleese van Dam, RJ Allan, C Chapman, W Emmerich, PB Wilson, JP Brodholt, A Thandavan, VN Alexandrov.
Molecular Simulations 31, 303–313, 2005
eMinerals: Science Outcomes enabled by new Grid Tools.
M Alfredsson, E Artacho, M Blanchard, JP Brodholt, CRA Catlow, DJ Cooke, MT Dove, Z Du, NH de Leeuw, A Marmier, SC Parker, GD Price, JMA Pruneda, W Smith, I Todorov, K Trachenko, and K Wright.
Proceedings of All Hands 2005 (ISBN 1-904425-53-4), pp 788–795, 2005
