[CP2K-user] [CP2K:20609] Cholesky decomposition failed. Matrix ill conditioned?

[Masoumeh Shams]

Dear all, 
I am trying to run a QM/MM/MD calculation of a protein and ligand complex. 
I'm encountering this error: "Cholesky decomposition failed. Matrix ill 
conditioned?"
I would appreciate it if someone could give me a  hint. I have attached my 
input and output files.

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