[phenixbb] mr_rosetta pause & resume
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:
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
> 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?
> phenixbb mailing list
> phenixbb at phenix-online.org
Morten K Grøftehauge, PhD
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