Statistics – Computation
Scientific paper
Dec 2005
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2005agufmin43b0336d&link_type=abstract
American Geophysical Union, Fall Meeting 2005, abstract #IN43B-0336
Statistics
Computation
0525 Data Management, 0545 Modeling (4255), 0560 Numerical Solutions (4255), 0599 General Or Miscellaneous
Scientific paper
Computational studies of planetary materials have grown tremendously in complexity in the last decade. A typical first principles high PT elasticity calculation is a time consuming procedure involving hundreds to thousands of job submissions and runs. These numerous runs result from parameter space sampling (phonons, pressures, strains, composition, etc) following a well defined workflow. However, most runs can be decoupled with little or no overhead and scheduled for concurrent execution on distributed systems. In addition, human intervention can be minimized by automating workflow executions. We describe a dedicated grid to prepare, submit, monitor, and analyze runs' results. The back-end is a collection of web-services providing access to distributed computing nodes, controlling workflow execution, monitoring services, and providing data analyses tools, visualization services, data bases, and authentication services. The front-end consists of second generation portals interfacing users with the underlying grid and providing a consistent abstraction of the entire collection of services as a single system. The presentation layer makes extensive use of portlets. They can be tailored to fit the required task granularity on both front- and back-end sides, and to provide a well structured user interface. Narada-Brokering is used as the middleware to provide abstractions for locations and availability of back-end services and persistence/fault tolerance.
da Silva R. C.
Erlebacher Gordon
Karki Bijaya B.
Pierce Marlon
Wentzcovitch Renata M.
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