[phenixbb] mr_rosetta pause & resume

Morten Grøftehauge mortengroftehauge.work at gmail.com
Mon Jul 22 03:31:36 PDT 2013

Okay, so power got turned off randomly again (or it just failed - who

So for my interrupted run I go:
phenix.mr_rosetta mr_rosetta_params.eff

Or do I need to specify the start point?

Related: Does the new 3.5 version of Rosetta impact the performance
(positively preferably) of phenix.mr_rosetta ?


On 19 June 2013 16:41, Terwilliger, Thomas C <terwilliger at lanl.gov> wrote:

>  Hi Karolina,
> You can stop after any step in mr_rosetta is completely finished and
> restart from there.  At the time of restarting you could specify a
> different number of processors.
>   To stop mr_rosetta you would abort it in the GUI or use this procedure
>    1. *Stopping mr_rosetta*
>    If you create a file "STOPWIZARD" in the top level directory (i.e.,
>    MR_ROSETTA_1/), then each job in the entire process will stop as soon as
>    any Phenix part of the process takes over (i.e., as soon as Rosetta jobs
>    finish).
>  To continue on you would use this approach:
>    1. *Viewing solutions and restarting with saved solutions*
>    At each stage, existing solutions are saved as a python "pkl" file and
>    can be read back in to mr_rosetta with "mr_rosetta_solutions=xxx.pkl".
>    These solutions can be displayed with "display_solutions=True". Existing
>    solutions are stored as "mr_rosetta_solution" objects which keep track of
>    the model and its history, the map_coefficients and labels, etc. These can
>    be read in to mr_rosetta with the keyword
>    "mr_rosetta_solutions=results.pkl" and used as inputs for subsequent runs,
>    starting at any step that can use those solutions. NOTE: You can re-start
>    mr_rosetta only at the beginning of major stages (like "place_model",
>    "rosetta_rebuild" etc)...but not in between. Normally at the end of a major
>    stage a .pkl file is written out with text like "type this to see all the
>    results". You can almost always give your original command, the command
>    "start_point=xxx" and "mr_rosetta_solutions=my_pickle_file.pkl" and it
>    should then continue on from there.
>  Let me know if that doesn't do it!
>  All the best,
> Tom T
>  ------------------------------
> *From:* phenixbb-bounces at phenix-online.org [
> phenixbb-bounces at phenix-online.org] on behalf of Karolina Michalska [
> dziuba at amu.edu.pl]
> *Sent:* Tuesday, June 18, 2013 2:03 PM
> *To:* phenixbb at phenix-online.org
> *Subject:* [phenixbb] mr_rosetta pause & resume
>   Hello everybody,
> Is there a way to pause an mr_rosetta run and resume it with a different
> number of processors?
> Thanks,
> Karolina
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> phenixbb at phenix-online.org
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Morten K Grøftehauge, PhD
Pohl Group
Durham University
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