[CP2K:628] Warning in QMMM

[Fawzi Mohamed]

>
>  *** 16:10:59 WARNING in pw_spline_utils:pw_prolongate_s3 err=-300
> ***
>  *** condition FAILED at line 4019
> ***
>
> I'm not sure what this means - can I safely ignore it?

it means that it wasn't able to converge the spline interpolation to  
the requested accuracy, depending on how high it is an how many  
iteration you asked it might be bad.

keywords:
max_iter
eps_r (residual error)
eps_x (argument error)

ciao
Fawzi