[QE-users] FFT dominanted benchmark

[Paolo Giannozzi]

There is a link on the QE web site to benchmarks, but most of them use
ultrasoft PPs or PAW. If you want a FFT-dominated benchmark, you should use
norm-conserving PP's and a high cutoff. A suitable example could be
CPV/examples/example04, containing 32 to 256 water molecules (for cp.x, but
it can be easily adapted to pw.x)

Paolo

On Wed, Jun 19, 2019 at 5:11 AM 刘泽世 <liuzeshi at ict.ac.cn> wrote:

> Dear Quantum Espresso's community,
>
>
>   I'm looking for a QE benchmark (or input problem) where FFT dominantes
> the execution time. can you give me a hint to find one?
>
>
> Thanks in advance.
>
>
> Zeshi Liu
>
> Institute of Computing Technology
>
> Chinese Academy of Sciences
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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