[CP2K-user] [CP2K:21834] Recommended hardware specifications for running CP2K

[Hanaa Sari]

Hello everyone,

I am currently running CP2K calculations ( geometry optimizations, 
transition states, surfaces...) and I would like to get some advice 
regarding the recommended hardware for an efficient workstation setup.

In particular, I would like to know:

   - 
   
   What is a good balance between CPU frequency and number of cores for 
   CP2K?
   - 
   
   How much memory (RAM per core) is generally advised for medium-to-large 
   systems?
   - 
   
   Are there clear advantages in using GPUs for standard DFT calculations 
   in CP2K?
   - 
   
   Any practical examples of hardware setups that have worked well for you 
   (e.g., CPU model, RAM size, SSD requirements)?
   
I would greatly appreciate any insights or references to official 
guidelines, as I want to make sure the machine I build will be well suited 
for CP2K workloads.

Thank you very much in advance for your help.

Best regards,

Hanaa SARI

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