Efficient SDS simulations on multi-GPU nodes of XSEDE high-end clusters

Samuel Schlachter, Stephen Herbein, Michela Taufer, Shuching Ou, Sandeep Patel, Jeremy S. Logan

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Scopus citations

Abstract

Efficiently studying Sodium Dodecyl Sulfate (SDS) molecules' formations in the presence of different molar concentrations on high-end GPU clusters whose nodes share accelerators exposes us to several challenges, including the need to dynamically adapt the job lengths. Neither virtualization nor lightweight OS solutions can easily support generality, portability, and maintainability in concert. Our solution complements rather than rewrites existing workflow and resource managers with a companion module that complements functions of the workflow manager and a wrapper module that extends functions of the resource managers. Results on the Keeneland cluster show how, by using our modules, accelerated SDS simulations more efficiently use the cluster's GPUs while leading to relevant scientific observations.

Original languageEnglish (US)
Title of host publicationProceedings - IEEE 9th International Conference on e-Science, e-Science 2013
PublisherIEEE Computer Society
Pages116-123
Number of pages8
ISBN (Print)9780768550831
DOIs
StatePublished - Jan 1 2013
Event9th IEEE International Conference on e-Science, e-Science 2013 - Beijing, China
Duration: Oct 22 2013Oct 25 2013

Publication series

NameProceedings - IEEE 9th International Conference on e-Science, e-Science 2013

Other

Other9th IEEE International Conference on e-Science, e-Science 2013
CountryChina
CityBeijing
Period10/22/1310/25/13

ASJC Scopus subject areas

  • Information Systems

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