[phenixbb] Slurm/qsub queue usage
michael.weyand at uni-bayreuth.de
Wed Mar 11 08:50:54 PDT 2020
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 ?
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