[phenixbb] ensemble refinement crash.

Rajendra Sharma rajenbiotech at gmail.com
Thu Nov 24 10:14:15 PST 2016


Dear all,

Is  is possible to save all the structures generated in ensemble refinement
before Ensemble reducer stage?

Thanks in advance.
Raji



*Rajendra SharmaResearch Scholar, PhD.*
*Centro Nacional de Biotecnología <http://www.cnb.csic.es/>,*

*Universidad Autónoma de Madrid,*

*Madrid, Spain.Mobile No. +31-656688390*

On Tue, Nov 22, 2016 at 12:26 PM, Rajendra Sharma <rajenbiotech at gmail.com>
wrote:

> Dear all,
>
> I am running  ensemble refinement using phenix-1.10. The calculations are
> running good until the Ensemble reducer where the jobs get killed  in some
> cases automatically without giving output pdb. I am using default setting
> to run the jobs.
>
> pdb_stored_per_block is 50 totaling 500 towards the end. Is the crash
> happening because of memory? Will reducing the number of pdb per block help?
>
> Secondly, how can I restart the killed runs?
>
> thanks in advance.
>
> Raji
>
>
>
> *Rajendra SharmaResearch Scholar, PhD.*
> *Centro Nacional de Biotecnología <http://www.cnb.csic.es/>,*
>
> *Universidad Autónoma de Madrid,*
>
> *Madrid, Spain.Mobile No. +31-656688390 <%2B31-656688390>*
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20161124/1a1b92bd/attachment-0001.htm>


More information about the phenixbb mailing list