[QE-developers] [QE-user] Speeding up QE calculations

[Paolo Giannozzi]

There are several ways to speed up calculations, but none can do
miracles:calculations on 200-300 atom systems may be heavy, depending upon
many factors.  You either need a lot of resources  or a lot of insight on
how your computations work.

Paolo

On Sat, Jun 6, 2020 at 6:04 PM Yuvam Bhateja <yuvamb16 at gmail.com> wrote:

> Thank you Dr. Kireeva for the advice, but I never performed overclocking
> and not sure I can perform it on the CPU offered by google cloud instance
> which I am currently using. And thank you for your advice regarding the
> kinetic potential, though I've used QE before, but I'll surely keep it in
> mind.
> Moreover, is there any other way like using an external library to
> accelerate the calculation in any sort of way?
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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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