On Sun, Oct 11, 2020 at 1:48 AM Robert Kern <robert.k...@gmail.com> wrote: > > You don't need to use vectorize() on fermi(). fermi() will work just fine on > arrays and should be much faster.
Yes, it really does the trick. See the following for the benchmark based on your suggestion: $ time python mu.py [-10.999 -10.999 -10.999 ... 20. 20. 20. ] [4.973e-84 4.973e-84 4.973e-84 ... 4.973e-84 4.973e-84 4.973e-84] real 0m41.056s user 0m43.970s sys 0m3.813s But are there any ways to further improve/increase efficiency? Regards, HY > > On Sat, Oct 10, 2020, 8:23 AM Hongyi Zhao <hongyi.z...@gmail.com> wrote: >> >> Hi, >> >> My environment is Ubuntu 20.04 and python 3.8.3 managed by pyenv. I >> try to run the script >> <https://notebook.rcc.uchicago.edu/files/acs.chemmater.9b05047/Data/bulk/dft/mu.py>, >> but it will keep running and never end. When I use 'Ctrl + c' to >> terminate it, it will give the following output: >> >> $ python mu.py >> [-10.999 -10.999 -10.999 ... 20. 20. 20. ] [4.973e-84 >> 4.973e-84 4.973e-84 ... 4.973e-84 4.973e-84 4.973e-84] >> >> I have to terminate it and obtained the following information: >> >> ^CTraceback (most recent call last): >> File "mu.py", line 38, in <module> >> integrand=DOS*fermi_array(energy,mu,kT) >> File >> "/home/werner/.pyenv/versions/datasci/lib/python3.8/site-packages/numpy/lib/function_base.py", >> line 2108, in __call__ >> return self._vectorize_call(func=func, args=vargs) >> File >> "/home/werner/.pyenv/versions/datasci/lib/python3.8/site-packages/numpy/lib/function_base.py", >> line 2192, in _vectorize_call >> outputs = ufunc(*inputs) >> File "mu.py", line 8, in fermi >> return 1./(exp((E-mu)/kT)+1) >> KeyboardInterrupt >> >> >> Any helps and hints for this problem will be highly appreciated? >> >> Regards, >> -- >> Hongyi Zhao <hongyi.z...@gmail.com> >> _______________________________________________ >> NumPy-Discussion mailing list >> NumPy-Discussion@python.org >> https://mail.python.org/mailman/listinfo/numpy-discussion > > _______________________________________________ > NumPy-Discussion mailing list > NumPy-Discussion@python.org > https://mail.python.org/mailman/listinfo/numpy-discussion -- Hongyi Zhao <hongyi.z...@gmail.com> _______________________________________________ NumPy-Discussion mailing list NumPy-Discussion@python.org https://mail.python.org/mailman/listinfo/numpy-discussion
