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

Lorenzo Paulatto paulatz at gmail.com
Tue Dec 10 20:23:13 CET 2019


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


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