[phenixbb] Slurm/qsub queue usage

Michael Weyand michael.weyand at uni-bayreuth.de
Wed Mar 11 08:50:54 PDT 2020

Dear Phenixer,

I would like to use Phenix GUI queue execution option. We have access to 
cluster nodes via Slurm/qsub.


The reason is that we have severe problems to run Coot/PyMol form the 
Phenix GUI if Phenix is executed on our number cruncher.
This direct Coot usage GUI option is HIGHLY preferred by my young 
colleagues... Therefore my Slurm queue installation.

But I have no clue how to add the needed first qsub script line ( 
"#!/bin/bash" or "#!/bin/tcsh" )  to the final Phenix command script 
from the Phenix GUI, which is to my knowledge a must for the qsub/sbatch 

Same holds true for the CCP4i GUI  ... :-(
This line is added to avoid cross positing to CCP4BB ... ;-)

Is there any simple hint / command which I have missed ?

Kind regards,

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