mm_par2.0: An object-oriented molecular dynamics simulation program parallelized using a hierarchical scheme with MPI and OPENMP

Published: 1 Feb 2012 | Version 1 | DOI: 10.17632/5vvht8g5z3.1

Description of this data

Abstract
We have revised a general purpose parallel molecular dynamics simulation program mm_par using the object-oriented programming. We parallelized the revised version using a hierarchical scheme in order to utilize more processors for a given system size. The benchmark result will be presented here.

Title of program: mm_par2.0
Catalogue Id: ADXP_v2_0

Nature of problem
Structural, thermodynamic, and dynamical properties of fluids and solids from microscopic scales to mesoscopic scales.

Versions of this program held in the CPC repository in Mendeley Data
ADXP_v1_0; MM_PAR; 10.1016/j.cpc.2005.12.002
ADXP_v2_0; mm_par2.0; 10.1016/j.cpc.2011.08.023

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

Experiment data files

This data is associated with the following publication:

mm_par2.0: An object-oriented molecular dynamics simulation program parallelized using a hierarchical scheme with MPI and OPENMP

Published in: Computer Physics Communications

Latest version

  • Version 1

    2012-02-01

    Published: 2012-02-01

    DOI: 10.17632/5vvht8g5z3.1

    Cite this dataset

    Oh, Kwang Jin; Kang, Ji Hoon; Myung, Hun Joo (2012), “mm_par2.0: An object-oriented molecular dynamics simulation program parallelized using a hierarchical scheme with MPI and OPENMP ”, Mendeley Data, v1 http://dx.doi.org/10.17632/5vvht8g5z3.1

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Categories

Surface Science, Condensed Matter Physics, Computational Physics

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