md_openmp

md_openmp, a C++ code which carries out a molecular dynamics simulation, using OpenMP for parallel execution.

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Usage:

In the BASH shell, the program could be run with 2 threads using the commands: 

        export OMP_NUM_THREADS=2
        ./md_openmp

Licensing:

The information on this web page is distributed under the MIT license.

Languages:

md_openmp is available in a C version and a C++ version and a Fortran90 version.

Related Data and Programs:

md_openmp_test

md, a C++ code which carries out a molecular dynamics simulation, and is intended as a starting point for implementing an OpenMP parallel version.

openmp_test, a C++ code which uses the OpenMP application program interface for parallel computations in a shared memory environment.

Reference:

  1. Peter Arbenz, Wesley Petersen,
    Introduction to Parallel Computing - A practical guide with examples in C,
    Oxford University Press,
    ISBN: 0-19-851576-6,
    LC: QA76.58.P47.
  2. Rohit Chandra, Leonardo Dagum, Dave Kohr, Dror Maydan, Jeff McDonald, Ramesh Menon,
    Parallel Programming in OpenMP,
    Morgan Kaufmann, 2001,
    ISBN: 1-55860-671-8,
    LC: QA76.642.P32.
  3. Barbara Chapman, Gabriele Jost, Ruud vanderPas, David Kuck,
    Using OpenMP: Portable Shared Memory Parallel Processing,
    MIT Press, 2007,
    ISBN13: 978-0262533027,
    LC: QA76.642.C49.

Source Code:

Last revised on 27 March 2020.