[phenixbb] Run time error while refining

Jeff Headd jjheadd at lbl.gov
Fri Jun 22 07:22:00 PDT 2012


Hi Subhani,

Are you using torsion NCS restraints? If so, the problem is the rotamer
outlier/consistency methods. We are aware of the problem, and are working
on a fix. In the meantime, if you turn off rotamer outlier correction and
sidechain rotamer consistency in the torsion NCS options, that should avoid
the problem with the current version of Phenix.

Jeff

On Fri, Jun 22, 2012 at 7:02 AM, Subhani Bandara <ramssb17 at gmail.com> wrote:

> Hi everyone,
>
> I got the following error message while running refinement in mac, using
> PHENIX-1.8-1069. This occured when refined after editing Ramachandran
> outliers in coot, without applying Ramachandran restraints. Not sure wether
> it has something to do with this.
>
> RuntimeError : Estimated memory allocation for cubicles exceeds
> max_number_of_bytes:
>
>   This may be due to unreasonable parameters:
>
>     cubicle_edge=5
>
>     space_span=(3528.41,3528.41,3442.53)
>
>     n_cubicles=(706,706,689)
>
>     max_number_of_bytes=2147483648
>
>
> Any suggestions!
>
>
> Thanks
>
> Subhani
>
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>
>
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