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<div style="direction: ltr;font-family: Tahoma;color: #000000;font-size: 10pt;">Hi Morten,
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<div>Yes, you'll need to specify the start_point (otherwise it will start from the beginning considering the solutions you have in the .pkl file along with ones that it finds along the way).</div>
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<div>I don't know if rosetta3.5 makes a difference in mr_rosetta; I'd be happy to hear from anyone on this.</div>
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<div>All the best,</div>
<div>Tom T</div>
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<div id="divRpF733590" style="direction: ltr; "><font face="Tahoma" size="2" color="#000000"><b>From:</b> phenixbb-bounces@phenix-online.org [phenixbb-bounces@phenix-online.org] on behalf of Morten Gr�ftehauge [mortengroftehauge.work@gmail.com]<br>
<b>Sent:</b> Monday, July 22, 2013 4:31 AM<br>
<b>To:</b> PHENIX user mailing list<br>
<b>Subject:</b> Re: [phenixbb] mr_rosetta pause & resume<br>
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<div dir="ltr">Okay, so power got turned off randomly again (or it just failed - who knows).
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<div style="">So for my interrupted run I go:</div>
<div style="">phenix.mr_rosetta mr_rosetta_params.eff mr_rosetta_solutions=./path/to/the/most/recent/results.pkl</div>
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<div style="">Or do I need to specify the start point? </div>
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<div style="">Related: Does the new 3.5 version of Rosetta impact the performance (positively preferably) of phenix.mr_rosetta ?</div>
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<div style="">Cheers,</div>
<div style="">Morten</div>
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<div class="gmail_quote">On 19 June 2013 16:41, Terwilliger, Thomas C <span dir="ltr">
<<a href="mailto:terwilliger@lanl.gov" target="_blank">terwilliger@lanl.gov</a>></span> wrote:<br>
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<div style="direction:ltr; font-size:10pt; font-family:Tahoma">Hi Karolina,
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<div>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.</div>
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<div> To stop mr_rosetta you would abort it in the GUI or use this procedure</div>
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<h5><u>Stopping mr_rosetta</u></h5>
<p><a name="13f5d19d2bfd69c2_anch34"></a>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).</p>
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<div>To continue on you would use this approach:</div>
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<h5><u>Viewing solutions and restarting with saved solutions</u></h5>
<p><a name="13f5d19d2bfd69c2_anch19"></a>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.</p>
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<div>Let me know if that doesn't do it!</div>
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<div>All the best,</div>
<div>Tom T</div>
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<div style="direction:ltr"><font face="Tahoma" color="#000000"><b>From:</b> <a href="mailto:phenixbb-bounces@phenix-online.org" target="_blank">
phenixbb-bounces@phenix-online.org</a> [<a href="mailto:phenixbb-bounces@phenix-online.org" target="_blank">phenixbb-bounces@phenix-online.org</a>] on behalf of Karolina Michalska [<a href="mailto:dziuba@amu.edu.pl" target="_blank">dziuba@amu.edu.pl</a>]<br>
<b>Sent:</b> Tuesday, June 18, 2013 2:03 PM<br>
<b>To:</b> <a href="mailto:phenixbb@phenix-online.org" target="_blank">phenixbb@phenix-online.org</a><br>
<b>Subject:</b> [phenixbb] mr_rosetta pause & resume<br>
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<p>Hello everybody,</p>
<p>Is there a way to pause an mr_rosetta run and resume it with a different number of processors?</p>
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<p>Thanks,</p>
<p>Karolina</p>
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-- <br>
Morten K Gr�ftehauge, PhD
<div>Pohl Group</div>
<div>Durham University</div>
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