$ python -m cProfile -s cumtime script.py

$ pprofile some_python_executable arg1 ...

$ pprofile --statistic .01 code.py

$ kernprof -l script_to_profile.py

$ python3 -m line_profiler   script_to_profile.py.lprof > results.txt

$ python3 -m cProfile -s cumtime md_001.py

$ pprofile md_001.py

* The loop computing <C>rij[k]<C>.
* The loop summing <C>d<C> (collective operation).
* Computing the square root of <C>d<C>.
* Computing <C>d2<C>.
* Computing the <C>potential<C> energy.
* The loop computing the <C>force<C> array.

for k in range(0, d_num):
    force[k,i] = force[k,i] - rij[k] * np.sin (2.0 * d2) / d