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wlugmayr / chimerax-starmap

Rosetta refinement controlled from ChimeraX
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Cluster templates are not found even though files exist #2

Closed kvr2007 closed 2 months ago

kvr2007 commented 2 months ago

Hello!

When I follow the instructions to submit the job to the cluster, I get the following error:

Template file starmap_sbatch_mpi_3_13_cluster.tmpl.sh does not exist!

I checked stmconfig and the variable STARMAP_TEMPLATES_DIR points to a correct file location. What could be the issue here?

wlugmayr commented 2 months ago

Hi,

are you sure the access rights to the folder are ok? The name of the template is a default template. DId you override it?

Can you do: $ ChimeraX -m chimerax.starmap.config | grep STARMAP_TEMPLATES_DIR STARMAP_TEMPLATES_DIR = /gpfs/cssb/software/templates/starmap $ cat $STARMAP_TEMPLATES_DIR/starmap_sbatch_mpi_3_13_cluster.tmpl.sh

Does it print anything?

We renamed the templates like below and this is the selection shown in the StarMap GUI: $ ls -1 $STARMAP_TEMPLATES_DIR
desy_maxwell_rhel9_cluster.tmpl.sh desy_maxwell_rhel9_ligand_cluster.tmpl.sh localhost_nompi_ligand_local.tmpl.sh localhost_nompi_local.tmpl.sh starmap_medic.tmpl.sh

Do you see the changed names in the StarMap GUI?

kvr2007 commented 2 months ago

Indeed, a different location was set to variable STARMAP_TEMPLATES_DIR:

$ chimerax -m chimerax.starmap.config | grep STARMAP_TEMPLATES_DIR
STARMAP_TEMPLATES_DIR       = /data/share/starmap_templates

The folder exists, and the new template files are there.

As it turned out, the new templates were not called _cluster.tmpl.sh, but rather .tmpl.sh and thus not found by StarMap.

kvr2007 commented 2 months ago

Closed the issue, was a user error :)