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VLab: A Science Gateway for Distributed First Principles Calculations in Heterogeneous High Performance Computing Systems

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Title: VLab: A Science Gateway for Distributed First Principles Calculations in Heterogeneous High Performance Computing Systems
Language: English
Authors: da Silveira, Pedro Rodrigo Castro
Source: ProQuest LLC. 2014Ph.D. Dissertation, University of Minnesota.
Availability: ProQuest LLC. 789 East Eisenhower Parkway, P.O. Box 1346, Ann Arbor, MI 48106. Tel: 800-521-0600; Web site: http://www.proquest.com/en-US/products/dissertations/individuals.shtml
Peer Reviewed: N
Page Count: 103
Publication Date: 2014
Document Type: Dissertations/Theses - Doctoral Dissertations
Descriptors: Computers, Computer Simulation, Science Laboratories, Astronomy, Earth Science, Computation, Internet, Web Sites, Databases, Equations (Mathematics)
ISBN: 978-1-303-80061-0
Abstract: This thesis describes the development and deployment of a cyberinfrastructure for distributed high-throughput computations of materials properties at high pressures and/or temperatures--the Virtual Laboratory for Earth and Planetary Materials--VLab. VLab was developed to leverage the aggregated computational power of grid systems to solve intrinsically high-throughput problems that appeared practically intractable in materials computations for planetary science applications. The VLab cyberinfrastructure was developed as a service oriented architecture (SOA) and consisted initially of a web portal, web services, and databases. These components are all integrated and used in the deployment of complex distributed workflows for calculations of equations of state, elastic constant tensor, and thermodynamics properties of materials. The deployment of workflows for high throughput calculations through the Internet transmuted VLab into a Science Gateway. Its development preceded the existence of software frameworks for workflow or gateway development. It is a unique Science Gateway deployed in the Extreme Science and Engineering, XSEDE. [The dissertation citations contained here are published with the permission of ProQuest LLC. Further reproduction is prohibited without permission. Copies of dissertations may be obtained by Telephone (800) 1-800-521-0600. Web page: http://www.proquest.com/en-US/products/dissertations/individuals.shtml.]
Abstractor: As Provided
Entry Date: 2016
Access URL: https://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:3614507
Accession Number: ED567429
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  Data: This thesis describes the development and deployment of a cyberinfrastructure for distributed high-throughput computations of materials properties at high pressures and/or temperatures--the Virtual Laboratory for Earth and Planetary Materials--VLab. VLab was developed to leverage the aggregated computational power of grid systems to solve intrinsically high-throughput problems that appeared practically intractable in materials computations for planetary science applications. The VLab cyberinfrastructure was developed as a service oriented architecture (SOA) and consisted initially of a web portal, web services, and databases. These components are all integrated and used in the deployment of complex distributed workflows for calculations of equations of state, elastic constant tensor, and thermodynamics properties of materials. The deployment of workflows for high throughput calculations through the Internet transmuted VLab into a Science Gateway. Its development preceded the existence of software frameworks for workflow or gateway development. It is a unique Science Gateway deployed in the Extreme Science and Engineering, XSEDE. [The dissertation citations contained here are published with the permission of ProQuest LLC. Further reproduction is prohibited without permission. Copies of dissertations may be obtained by Telephone (800) 1-800-521-0600. Web page: http://www.proquest.com/en-US/products/dissertations/individuals.shtml.]
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