[CP2K:406] unique spline question

[Teodoro Laino]

hi axel,

this should not be the case.. as usual I need to see the input file  
for FIST.
Can't say anything else without it.

cheers
teo

On 29 Nov 2007, at 00:52, Axel wrote:

> hi all!
>
> i'm currently playing around with options to save memory
> for a large QM/MM calculation and i noticed, that when
> using the default spline settings or using unique splines
> with the recommended epsilon of 1.e-12 the memory
> consumption is about the same.
>
> am i comparing apples and oranges here?
>
> since the default epsilon is 1e-7 and of course
> if i use a 1.e-12 epsilon without unique splines
> enabled memory use explodes.
>
> is there any recommendation what would be the best
> way to continue?

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