Exception: sbatch did not return successfully

VFVS VFVS 2
#1

hello VFVS2 developers

i have tried to perform my own virtual screen using 6.6M compounds downloaded from the ENAMINE REAL space.
I can process the workunits just fine (6528 tranches with 6 workunits), but I get an error when submitting with slurm:

File “/home/rosen/Documents/MASTERS/scripts/submit_virtual_screening/VFVS-vfvs-2/tools/./vfvs_submit_jobs.py”, line 353, in
main()
File “/home/rosen/Documents/MASTERS/scripts/submit_virtual_screening/VFVS-vfvs-2/tools/./vfvs_submit_jobs.py”, line 349, in main
process(config, int(sys.argv[1]), int(sys.argv[2]))
File “/home/rosen/Documents/MASTERS/scripts/submit_virtual_screening/VFVS-vfvs-2/tools/./vfvs_submit_jobs.py”, line 313, in process
submit_slurm(config, client, current_workunit, jobline)
File “/home/rosen/Documents/MASTERS/scripts/submit_virtual_screening/VFVS-vfvs-2/tools/./vfvs_submit_jobs.py”, line 165, in submit_slurm
raise Exception(“sbatch did not return successfully”)
Exception: sbatch did not return successfully

#2

Hi Tommy,

This might have to do with the different structure of the new library for VirtualFlow2.0. We will update this in the near future.

Kind regards,

Sorin

#3

Hey Sorin,
Thanks for the update! Could you give me an estimated timeframe for when support for this structure might be added? I’m just trying to plan my work accordingly.

Best regards,
Haroon

#4

Hello @TommyBiomodellingAU this issue is related to the slurm setup.
I was able to run VFVS2.0 on my local server but, I am also facing the same issue with running VFVS2.0 on our HPC server.

But I still have not figured it out yet, would be great if anyone can help me out in it.

Thanks