parana/torque repository overview

⁠Image for running simulations

Project based on original image from AiiDA Team [email protected]⁠

This image intall torque-scheduler, torque-server, torque-mom and torque-client on Ubuntu 16.04 LTS and have a basic environment with possibility to access via ssh to the user 'app', with a torque scheduler enabled.

⁠How to build the image

docker build -t parana/torque .

⁠How to start

You can run the image with the script ./start_container.sh.

Example:

./start_container.sh /Users/parana/.ssh/id_rsa.pub

Some notes (already present in the start_container.sh script):

• you need to run the container with the --privileged option, because the mom component of torque needs to lock the memory

• if you bind port 80 to the container to a port on the host, you can then ssh to the container with username app. To be able to ssh without password, run the container passing the environment variable AUTHORIZED_KEY, whose value should be the public SSH key you want to be able to connect with. When starting, this key will be added to the ~/.ssh/authorized_keys file of the 'app' user in the container (but only if the file is empty). If the file is not empty, nothing will be added (but you can always connect to the container with docker exec -it DOCKER_CONTAINER_ID bash, then, change the /home/app/.ssh/authorized_keys file.

⁠What does the container contains

Beside the typical basic ubuntu system, and a SSH server, it contains:

• the torque scheduler (you can e.g. submit with the qsub command), see the files in the folder submission_test for some examples

⁠Dockerfile repository

The Dockerfile repository is https://github.com/joao-parana/torque⁠