AlphaFold on Jupyterhub


I have just tried to run AlphaFold 2.1.1 on Jupyterhub but when I select the GPU for job profile, I get the error:
"Error: HTTP 500: Internal Server Error (Error in Authenticator.pre_spawn_start: RuntimeError sbatch: error: Batch job submission failed: Invalid account or account/partition combination specified)"

Yet, I am added to the gpu partition (I manage to run jobs in command line on gpu-node-03).



Your default account is demo (limited to 6 computing hours).
And jupyter use the default account to launch your jobs (we should be able to select an account in the future).
So you have to change this default account to your project account (some help here: Slurm accounts and projects).

To view which is your default account, you can use satus_bars tool (default account in bold):


Or using the sacctmgr command:

sacctmgr show user $USER format=User,DefaultAccount

And you can change your default account using the sacctmgr command :

sacctmgr update user $USER set defaultaccount=<project-name>

Best regards

Yes, it fixed my problem. Thanks!