Serge's Services
These are the services that I'm running as of September 2nd, 2026.
- qsar - TBD
- 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 for cluster 7: https://wiki.docking.org/index.php?title=Qsar