$ 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 rij[k]. * The loop summing d (collective operation). * Computing the square root of d. * Computing d2. * Computing the potential energy. * The loop computing the force array. for k in range(0, d_num): force[k,i] = force[k,i] - rij[k] * np.sin (2.0 * d2) / d