<div dir="ltr">Hi Michael,<div><br></div><div>Do you get any output about any jobs being submitted? Is there a way to query what the GUI is trying to submit? We don't have a SLURM queueing system for testing, so I'm not sure how functional our implementation.</div><div><br></div><div>The GUI should be submitting jobs using "sbatch", but the script might be dynamically generated and passed through the command line. Do you need #SBATCH directives for choosing a specific queue or setting a wall time? That is not supported with the way jobs are currently submitted to queueing systems. </div><div><br></div><div>However, submission to more queueing systems seems like something we should overhaul so that users can submit custom parameters specific to the queueing system. That would be a longer term project, though.</div><div><br clear="all"><div><div dir="ltr" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div><div>--</div><div><span style="font-size:12.8000001907349px">Billy K. Poon</span><br></div></div><div>Research Scientist, Molecular Biophysics and Integrated Bioimaging</div><div>Lawrence Berkeley National Laboratory</div><div>1 Cyclotron Road, M/S 33R0345</div><div>Berkeley, CA 94720</div><div>Tel: (510) 486-5709</div><div>Fax: (510) 486-5909</div><div>Web: <a href="https://phenix-online.org" target="_blank">https://phenix-online.org</a></div></div></div></div></div></div></div></div></div></div></div></div></div></div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Mar 11, 2020 at 8:55 AM Michael Weyand <<a href="mailto:michael.weyand@uni-bayreuth.de" target="_blank">michael.weyand@uni-bayreuth.de</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-style:solid;border-left-color:rgb(204,204,204);padding-left:1ex">Dear Phenixer,<br>
<br>
I would like to use Phenix GUI queue execution option. We have access to <br>
cluster nodes via Slurm/qsub.<br>
<br>
<a href="https://slurm.schedmd.com/documentation.html" rel="noreferrer" target="_blank">https://slurm.schedmd.com/documentation.html</a><br>
<br>
The reason is that we have severe problems to run Coot/PyMol form the <br>
Phenix GUI if Phenix is executed on our number cruncher.<br>
This direct Coot usage GUI option is HIGHLY preferred by my young <br>
colleagues... Therefore my Slurm queue installation.<br>
<br>
But I have no clue how to add the needed first qsub script line ( <br>
"#!/bin/bash" or "#!/bin/tcsh" ) to the final Phenix command script <br>
from the Phenix GUI, which is to my knowledge a must for the qsub/sbatch <br>
command.<br>
<br>
Same holds true for the CCP4i GUI ... :-(<br>
This line is added to avoid cross positing to CCP4BB ... ;-)<br>
<br>
Is there any simple hint / command which I have missed ?<br>
<br>
Kind regards,<br>
Michael<br>
<br>
<br>
<br>
<br>
<br>
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