md_openmp

md_openmp, a Fortran90 code which carries out a molecular dynamics simulation, using OpenMP for parallel execution.

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 Fortran90 code which carries out a molecular dynamics simulation, and is intended as a starting point for implementing an OpenMP parallel version.

openmp_test, a Fortran90 code which uses the OpenMP application code interface for carrying out 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:

• md_openmp.f90, the source code;
• md_openmp.sh, compiles the source code.