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Manuscript Title: A general purpose parallel molecular dynamics simulation program
Authors: Kwang Jin Oh, Michael L. Klein
Program title: MM_PAR
Catalogue identifier: ADXP_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 174(2006)560
Programming language: C.
Computer: any UNIX machine. The code has been tested on Linux cluster and IBM p690.
Operating system: Linux, AIX.
Has the code been vectorised or parallelized?: Parallelized with MPI using atom decomposition and domain decomposition.
RAM: ~60 MB for a system of ~24000 atoms.
Keywords: molecular dynamics simulation, Langevin dynamics simulation, dissipative particle dynamics simulation, parallel computing.
PACS: 02.70.Ns.
Classification: 7.7.

External routines: FTTW free software (http://www.fftw.org)

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

Solution method:
Molecular dynamics simulation in NVE, NVT, and NPT ensemble, Langevin dynamics simulation, dissipative particle dynamics simulation.

Running time:
Table 1, (included in the distribution README file) shows the typical run times for the four test programs.