[phenixbb] DEN refinement stuck

Jan van Agthoven janccp4 at gmail.com
Tue Sep 24 14:00:08 PDT 2013


Hi Jeff,
I'll be patient then. I added nproc=4, see if it's done by tomorrow.
Thanks,
Jan

2013/9/24, Jeff Headd <jjheadd at lbl.gov>:
> Yes, this is not unexpected. DEN is very time consuming, and is often
> measured in days, not minutes or hours.
>
> If you still see a load on your processor, then it is probably still
> running.
>
> Do you have access to a machine with multiple processors? Doing a full
> optimization on a single processor is going to take a very long time.
>
> Jeff
>
>
> On Tue, Sep 24, 2013 at 4:34 PM, Jan van Agthoven <janccp4 at gmail.com>
> wrote:
>
>> Hi,
>> I launched a DEN refinement 4 hours ago, and it remain stuck with the
>> following message:
>>
>>           ----------coordinate minimization before annealing----------
>>
>> Running DEN torsion optimization on 1 processors...
>> Running torsion simulated annealing
>>   ...trying gamma 0.0, weight 3.0
>>
>> Is this normal? Is torsion simulated annealing so long?
>>
>> Thanks,
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>> phenixbb at phenix-online.org
>> http://phenix-online.org/mailman/listinfo/phenixbb
>>
>


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