md_openmp, a C code which carries out a molecular dynamics simulation, using OpenMP for parallel execution.
On an Apple PowerPC G5 with two processors, the following results were observed for 400 steps and 1000 particles:
| Threads | Time |
|---|---|
| 1 | 179.632 secconds |
| 2 | 90.548 seconds |
| 4 | 95.303 seconds |
In the BASH shell, the program could be run with 2 threads using the commands:
export OMP_NUM_THREADS=2
./md_openmp
The computer code and data files described and made available on this web page are distributed under the MIT license
md_openmp is available in a C version and a C++ version and a FORTRAN90 version.
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