[QE-users] Required configuration of desktop computer for DFT calculations

Souvik Biswas quantum.sim19 at gmail.com
Sun Dec 22 10:34:29 CET 2019


Thank you so much for your reply, sir. I was trying to buy my own system so
that I can work anywhere, can you please suggest me that ryzen 7 2700x or
3700x will be a good processor for DFT calculations? And will i have any
edge over intel i7 9700k? Thanks in advance. It will be great for me if you
suggest some benchmarks.

Sincerely,
Savy

On Wed, 11 Dec 2019 at 00:53, Lorenzo Paulatto <paulatz at gmail.com> wrote:

> Dear Savy,
> I think you should ask your thesis supervisor to provide you with the
> computing power that is necessary to complete the tasks that you have
> been assigned.
>
> That said, I do not think there is any problem in running QE on AMD CPU.
> However on AMD CPUs you won't be able to completely benefit from the
> Intel compiler optimizations, which may trade-off the money you save on
> AMD CPUs, especially if you are getting Intel compiler for free.
>
> regards
>
> On 12/10/19 8:07 PM, Souvik Biswas wrote:
> > Hello everyone,
> >
> > I am working towards my thesis project where i have to do some dft
> > calculations. I want to upgrade my system. Currently i am using i5 7200u
> > processor. Is it advisable to opt for amd ryzen 7 3700x ? Instead of
> > intel compiler what we can use  in amd system? Please help me to get a
> > good processor for my system.
> >
> > Thanks In advance,
> >
> > Savy.
> >
> > _______________________________________________
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>
> --
> Lorenzo Paulatto - Paris
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
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