[Octopus-users] Any tips for big systems (protein)?
nicola.spallanzani at unimore.it
Tue Jul 15 10:54:52 WEST 2008
Cheng. W wrote:
> What I am very curious is that the memory usage seems to be very huge,
yes, the main problem for a big system is the memory usage.
> I found the memory usage depend on the Boxshape and radius, The radius
> is the minimum (16.) I can use, otherwise there are warning messages
> that some atoms are out of the radius if the radius are set smaller than
> 16. I am testing other boxshape and see what happened.
In your input file:
BoxShape = minimum
radius = 16
are you sure to use the minimum boxshape?
I don't understand how you can have those warning messages.
I suggest you to post the input, output and error files.
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