[QE-users] [QE-GPU] Seeking Step-by-Step Installation Guide for GPU Version of Quantum Espresso

[Miguel Urbiztondo]

Dear Quantum Espresso Community,

I hope this post finds you all well.

I'm reaching out to you today with a query concerning the installation 
of the GPU version of Quantum Espresso (QE). I have been diligently 
trying to get this set up on two of my machines, but despite my best 
efforts and following multiple guides found online, I have been 
unsuccessful so far.

The first machine is a desktop with an i7 processor of an unspecified 
generation, equipped with a Nvidia 3060 GPU. The second one is a laptop, 
also with an i7 processor of a different generation, and a Nvidia 950m 
GPU. Both of these systems are running Linux Ubuntu.

Given the configurations of my machines, I was hoping to gain some 
insights into the best version of QE to download for these particular 
setups. I've downloaded a few versions so far, but none of them seem to 
work for my specific situation. I would greatly appreciate a 
step-by-step guide, or even any tips and tricks that could guide me in 
the right direction.

Moving forward from VASP, I'm thrilled at the prospect of delving into 
QE. It has been praised in numerous forums, and its capabilities and 
possibilities seem incredibly promising to me. My current hurdle of 
installation is just one step in the journey, and I'm eager to make the 
transition smoothly.

Thank you for taking the time to read my post.

I'm grateful for any help or advice you can provide and I look forward 
to being an active participant in this community.

Best regards,

Miguel

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