A New Shared-Memory Programming Paradigm for Molecular Dynamics Simulations on the Intel Paragon

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Description

This report describes the use of shared memory emulation with DOLIB (Distributed Object Library) to simplify parallel programming on the Intel Paragon. A molecular dynamics application is used as an example to illustrate the use of the DOLIB shared memory library. SOTON PAR, a parallel molecular dynamics code with explicit message-passing using a Lennard-Jones 6-12 potential, is rewritten using DOLIB primitives. The resulting code has no explicit message primitives and resembles a serial code. The new code can perform dynamic load balancing and achieves better performance than the original parallel code with explicit message-passing.

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56 pages

Creation Information

D'Azevedo, E.F. January 1, 1995.

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Description

This report describes the use of shared memory emulation with DOLIB (Distributed Object Library) to simplify parallel programming on the Intel Paragon. A molecular dynamics application is used as an example to illustrate the use of the DOLIB shared memory library. SOTON PAR, a parallel molecular dynamics code with explicit message-passing using a Lennard-Jones 6-12 potential, is rewritten using DOLIB primitives. The resulting code has no explicit message primitives and resembles a serial code. The new code can perform dynamic load balancing and achieves better performance than the original parallel code with explicit message-passing.

Physical Description

56 pages

Source

  • Other Information: PBD: 1 Jan 1995

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  • Report No.: ORNL/TM-12890
  • Grant Number: AC05-00OR22725
  • DOI: 10.2172/814063 | External Link
  • Office of Scientific & Technical Information Report Number: 814063
  • Archival Resource Key: ark:/67531/metadc740936

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Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

Office of Scientific and Technical Information (OSTI) is the Department of Energy (DOE) office that collects, preserves, and disseminates DOE-sponsored research and development (R&D) results that are the outcomes of R&D projects or other funded activities at DOE labs and facilities nationwide and grantees at universities and other institutions.

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Creation Date

  • January 1, 1995

Added to The UNT Digital Library

  • Oct. 18, 2015, 6:40 p.m.

Description Last Updated

  • March 31, 2016, 1:22 p.m.

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D'Azevedo, E.F. A New Shared-Memory Programming Paradigm for Molecular Dynamics Simulations on the Intel Paragon, report, January 1, 1995; United States. (digital.library.unt.edu/ark:/67531/metadc740936/: accessed November 19, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.