[CP2K-user] Speeding up AIMD simulation

[ASSIDUO Network]

Hi there everyone, I hope you are all doing well.

I'm trying to do an AIMD simulation of 6 layers of Au (111) (3 fixed) with 
CO and O adsorbed on top of the gold surface. I have the optimized geometry 
for this system (gold.xyz). Can I have some input on speeding up the 
equilibration, since simulating it with 32 CPUs and 4 GPUs over 12 hours 
does not even get me past 20 fs.

I know removing the &KPOINTS section would speed up the simulation, but I'm 
going after accuracy here. Do you have any suggestions on how to speed up 
my simulation? I have included my input file.

Kind regards,
Lenard
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