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