first, confirm that you really do have 56,559 atoms. then, change the value
in the file called SIZE.block and recompile addles. the program did not
include dynamic memory allocation.
On Fri, Jul 30, 2010 at 1:23 PM, Hegazy,Lamees <lamees.ufl.edu> wrote:
>
> Dear all,
>
> Iam using addles to generate necessary parameters and topology
> files for LES simulations. The addles output gives me this error
> :
>
> Checking topology sizes against compiled limits
> exceeded MAXNATOM in SIZE.BLOCK.
> MAXNATOM = 50000
> NATOM = 56559
> Change SIZE.BLOCK and recompile.
>
>
> How should I fix this?
>
>
> Thanks,
> Lamees
> --
> Hegazy,Lamees
>
>
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Received on Fri Jul 30 2010 - 10:30:06 PDT
