Serge's Services

These are the services that I'm running as of September 2nd, 2026.

• qsar - cluster2(epyc:4545)
• datagrok - cluster2(epyc:8080)

• cdk/depict cluster2(abacus:8180)
• jupyter-hub cluster7(https://cpu02:8888)

How to start a service manually

Do this if you can't perform it through gitlab automation tools or if the tools don't exist yet.

• • These steps may require sudo or root permissions as it uses docker!!**

Jupyter-Hub

1. Log into cluster 7 (login01) and SSH into a cpu node:

ssh <username>@169.230.26.173
ssh cpu02

You can use a different node than cpu02. Discover nodes by using sinfo.

2. Create a screen so that the software works when you log off.

screen -S jupyter-hub

3. Navigate to the following folder while in the screen (you should automatically be in it):

/nfs/home/sstrizhov/jupyter-hub

4. Run the following script (may need sudo):

./startup.sh

This should automatically build and get the docker container running for you at "https://cpu02:8888" unless 8888 as a socket is already in use.

cdk/depict

1. Log into cluster 2.

2. Create a screen so that the software works when you log off.

screen -S cdkdepict

3. Navigate the following folder:

/nfs/home/sstrizhov/code/depict/docker

4. Run the following script (may need sudo):

./startup.sh

Qsar =

Fresh installation guide: https://wiki.docking.org/index.php?title=Qsar