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e Minerals in the international context

e Minerals in the international context. Martin Dove Department of Earth Sciences, University of Cambridge. Who are we; what do we do?. We study environmental processes at the molecular level, e.g. how pollutants bind to soils

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e Minerals in the international context

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  1. eMinerals in the international context Martin Dove Department of Earth Sciences, University of Cambridge

  2. Who are we; what do we do? • We study environmental processes at the molecular level, e.g. how pollutants bind to soils • We run molecular-scale simulations in combinatorial studies – grids are perfect for this +

  3. Elements of escience Computing grids Data grids Collaborative grids

  4. eMinerals integrated compute/data minigrid

  5. eMinerals minigrid: compute component

  6. eMinerals minigrid: data and SRB component

  7. Working in a wider context: it is about the interface Our scientists access our minigrid using our “my_condor_submit” tool • GSI authentication • Provides an easy interface to (pre-WS) Globus via Condor-G • Integrates with the SRB for data management • Uses a standard metascheduling approach • Automatic metadata collection • Access from the desktop via a web services wrapping

  8. Working in a wider context: it is about the interface The interface is easy to generalise to a wider context (examples are NGS and NWGrid) provided: • External grid resources have a correct implementation of (pre-WS) Globus • External grid resources have working job managers • External grid resources maintain an up-to-date gridmap file • External grid resources are prepared to install SRB client tools (Scommands) and our metadata tools • Firewalls are configured to allow access

  9. Data and information management Collaboration requires sharing of information • Increasingly we modify our codes to generate XML output files (CML: Chemical Markup Language): relatively easy to do • XML facilitates our automatic metadata collection • We have developed tools to enable collaborators to view the information content in XML files via XML to XHTML and SVG transformations, and embedded CML-aware java applets

  10. Collaborative tools: Desktop access grid Use of desktop Access Grid for collaboration, augmented by instant messaging Use of Multicast Application Sharing Tool to support collaborative working

  11. Summary Usability within a wider context can work provided we all keep to recognised standards

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