[CP2K-user] [CP2K:19138] CP2k QMMM GPU Accuracy

[Sebastian Muraru]

Hi,

I have previously installed and used cp2k, including the cp2k-gromacs 
interface (for QM/MM) on an RTX A4000 GPU. I have since changed labs and 
there's a couple of workstations with GeForce  RTX 3090 and GeForce RTX 
2090 Ti.

Can or should one expect accuracy flaws if running calculations on the 
GeForces?

Best,
Sebastian Muraru

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