[CP2K-user] [CP2K:21733] Run large-scale CP2K simulations

Eunice Oliveira eoliveira at inductiva.ai
Thu Aug 7 12:46:39 UTC 2025


Dear CP2K community,

Check out Inductiva.AI <https://inductiva.ai/> if you need to run 
large-scale simulations, manage compute-heavy tasks, and access 
cutting-edge cloud infrastructure; *no queues*, *minimal setup*.

Running your simulations is as simple as executing a short Python script, 
as shown below and detailed here 
<https://inductiva.ai/guides/cp2k/quick-start>. To adapt it for your own 
CP2K simulations, simply update the input_dir with the path to your CP2K 
input files and set the sim_config_filename accordingly.

[image: Python_script.png]

You can also use the Inductiva Console to manage your simulations, monitor 
their progress in real time, and download the results. 

[image: Console.png]

Happy simulations!

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