[Wien] AMD and oneapi for wien2k

Yundi Quan yquan at ucdavis.edu
Mon Dec 19 07:34:22 CET 2022


In general, modern CPUs should be more than enough to handle most WIEN2k
calculations. CPU performance might depend on the compound of interest as
well.

There is another option, i.e. running WIEN2k on cloud platforms like AWS.
The benefit of cloud computing is that users can change CPU/memory/disk at
any time.


On Mon, Dec 19, 2022 at 2:14 PM Hemza <hemza.dz at gmail.com> wrote:

> I was reading this thread
>
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22149.html
>
>
>  and want to ask  how about AMD (especially new Ryzen 5- 9 ones)
> processors? Did anyone use them for WIEN2k? How did they perform compared
> to intel i-core ones?
> Is it beneficial to use Intel-oneapi for AMDprocessors or should one use
> them solely with gfortran?
> Benchmarks are cryptic for me, any help on how to read them would be very
> appreciated!
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