Requesting access to the GPU partition to run Alphafold2

IFB Core Cluster
1

Hello team IFB,

I tried to run the Alphafold2 script from my Jupyter Bash kernel. I got this error- sbatch job submission failed: Invalid account or partition/combination not specified.
I did mention in my script #SBATCH --partition=gpu and also #SBATCH --account=insectorco

I think I'm getting this error because I might need to request access to the GPU partition. If that's the case, can you please provide me one?
My project account is insectorco.

Thanks in advance,
Sri

2

Hello,

You have now access to the GPU partition (for your account and the project insectorco)
Please check your job is really using the GPU (Troubleshooting - IFB Core Cluster Documentation).

Best regards,

3

thank you for your quick reply.
Can you please elaborate what you meant by, "check your job is really using the GPU"?

4

With CPU, you can request 10 CPU and only use 1 CPU (you software use only one CPU). You have to check the resources really used.

With GPU, it's the same, you can launch your job or launch your Alphafold2 script, but there is something wrong (bad library, wrong version, etc) and the GPU processor is actually not used. Believe me, it happens.
So it's a good practice to check: https://ifb-elixirfr.gitlab.io/cluster/doc/troubleshooting/#gpu