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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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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
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, _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
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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
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
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, _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
participants (2)
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Jan van Agthoven
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Jeff Headd