[Numpy-discussion] The mu.py script will keep running and never end.

[Robert Kern]

You don't need to use vectorize() on fermi(). fermi() will work just fine
on arrays and should be much faster.

On Sat, Oct 10, 2020, 8:23 AM Hongyi Zhao <hongyi.zhao at 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.zhao at gmail.com>
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