[CP2K-user] [CP2K:20783] ab initio MD - necessary requirements

[emerson p l]

Dear friends,

I'm starting to study ab initio MD, and I have a doubt as to whether it is 
viable to run Car–Parrinello molecular dynamics with the computational 
resources I have. 

I saw an example with 64 water molecules, on average, how much RAM would be 
needed to run a system of this size on CP2K? What would be the number of 
threads needed?

Thanks in advance.

Best, 

Emerson.

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