High Performance Computing Issues in Large-Scale Molecular Statics Simulations

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dc.contributor.authorPulla, Gautamen
dc.contributor.committeechairRibbens, Calvin J.en
dc.contributor.committeememberKafura, Dennis G.en
dc.contributor.committeememberFarkas, Dianaen
dc.contributor.departmentComputer Scienceen
dc.date.accessioned2014-03-14T20:38:30Zen
dc.date.adate1999-06-02en
dc.date.available2014-03-14T20:38:30Zen
dc.date.issued1999-05-03en
dc.date.rdate2000-06-02en
dc.date.sdate1999-05-24en
dc.description.abstractSuccessful application of parallel high performance computing to practical problems requires overcoming several challenges. These range from the need to make sequential and parallel improvements in programs to the implementation of software tools which create an environment that aids sharing of high performance hardware resources and limits losses caused by hardware and software failures. In this thesis we describe our approach to meeting these challenges in the context of a Molecular Statics code. We describe sequential and parallel optimizations made to the code and also a suite of tools constructed to facilitate the execution of the Molecular Statics program on a network of parallel machines with the aim of increasing resource sharing, fault tolerance and availability.en
dc.description.degreeMaster of Scienceen
dc.identifier.otheretd-052499-000803en
dc.identifier.sourceurlhttp://scholar.lib.vt.edu/theses/available/etd-052499-000803/en
dc.identifier.urihttp://hdl.handle.net/10919/33206en
dc.publisherVirginia Techen
dc.relation.haspartthesis.pdfen
dc.rightsIn Copyrighten
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subjectdistributed computingen
dc.subjecthigh performance computingen
dc.subjectcomputational environmentsen
dc.subjectparallel computingen
dc.titleHigh Performance Computing Issues in Large-Scale Molecular Statics Simulationsen
dc.typeThesisen
thesis.degree.disciplineComputer Scienceen
thesis.degree.grantorVirginia Polytechnic Institute and State Universityen
thesis.degree.levelmastersen
thesis.degree.nameMaster of Scienceen

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