Virginia Tech
    • Log in
    View Item 
    •   VTechWorks Home
    • ETDs: Virginia Tech Electronic Theses and Dissertations
    • Masters Theses
    • View Item
    •   VTechWorks Home
    • ETDs: Virginia Tech Electronic Theses and Dissertations
    • Masters Theses
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    High Performance Computing Issues in Large-Scale Molecular Statics Simulations.

    Thumbnail
    View/Open
    thesis.pdf (526.1Kb)
    Downloads: 128
    Date
    1999-05-03
    Author
    Pulla, Gautam
    Metadata
    Show full item record
    Abstract
    Successful 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.
    URI
    http://hdl.handle.net/10919/33206
    Collections
    • Masters Theses [18654]

    Related items

    Showing items related by title, author, creator and subject.

    • Thumbnail

      Malleable Contextual Partitioning and Computational Dreaming 

      Brar, Gurkanwal Singh (Virginia Tech, 2015-01-20)
      Computer Architecture is entering an era where hundreds of Processing Elements (PE) can be integrated onto single chips even as decades-long, steady advances in instruction, thread level parallelism are coming to an end. ...
    • Thumbnail

      CommAnalyzer: Automated Estimation of Communication Cost on HPC Clusters Using Sequential Code 

      Helal, Ahmed E.; Jung, Changhee; Feng, Wu-chun; Hanafy, Yasser Y. (Department of Computer Science, Virginia Polytechnic Institute & State University, 2017-08-14), TR-17-04
      MPI+X is the de facto standard for programming applications on HPC clusters. The performance and scalability on such systems is limited by the communication cost on different number of processes and compute nodes. Therefore, ...
    • Thumbnail

      ETH: A Framework for the Design-Space Exploration of Extreme-Scale Visualization 

      Abrams, Gregory; Adhinarayanan, Vignesh; Feng, Wu-chun; Rogers, David; Ahrens, Jams; Wilson, Luke (Department of Computer Science, Virginia Polytechnic Institute & State University, 2017-09-29), TR-17-05
      As high-performance computing (HPC) moves towards the exascale era, large-scale scientific simulations are generating enormous datasets. A variety of techniques (e.g., in-situ methods, data sampling, and compression) have ...

    If you believe that any material in VTechWorks should be removed, please see our policy and procedure for Requesting that Material be Amended or Removed. All takedown requests will be promptly acknowledged and investigated.

    Virginia Tech | University Libraries | Contact Us
     

     

    VTechWorks

    AboutPoliciesHelp

    Browse

    All of VTechWorksCommunities & CollectionsBy Issue DateAuthorsTitlesSubjectsThis CollectionBy Issue DateAuthorsTitlesSubjects

    My Account

    Log inRegister

    Statistics

    View Usage Statistics

    If you believe that any material in VTechWorks should be removed, please see our policy and procedure for Requesting that Material be Amended or Removed. All takedown requests will be promptly acknowledged and investigated.

    Virginia Tech | University Libraries | Contact Us