Docker Stack for AiiDA lab
This repo contains the Docker file used in the AiiDA lab.
Docker images are available from Dockerhub via docker pull aiidalab/aiidalab-docker-stack:latest.
See aiidalab/aiidalab-docker-stack for a list of available tags.
Deploy on AiiDA lab server
To deploy changes, log into the AiiDA lab server and execute the following commands:
docker pull aiidalab/aiidalab-docker-stack:latest
docker tag aiidalab/aiidalab-docker-stack:latest aiidalab-docker-stack:latest
The users will gradually pick up the new image, whenever they restart their container via the Control Panel.
Deploy locally
Make sure that Docker is installed on your machine, otherwise go to Docker installation page and follow the instructions for your operating system.
Then, start AiiDA lab:
./run_aiidalab.sh PORT FOLDER_ABS_PATH
Where PORT is any free port on your machine (typically it is 8888) and FOLDER_ABS_PATH is an absolute path to the folder where user's data will be stored
(typically it is ${HOME}/aiidalab).
The last line of the output of the command above will contain the link to access AiiDA lab in your browser.
Slow IO
To check for issues with OpenStack's block storage observe the following command for a few minutes:
watch -n 0.1 "ps axu| awk '{print \$8, \" \", \$11}' | sort | head -n 10"
Pretty much all processes should be in the S state. If a process stays in the D state for a longer time it is most likely waiting for slow IO.
Acknowledgements
This work is supported by the MARVEL National Centre for Competency in Research funded by the Swiss National Science Foundation, as well as by the MaX European Centre of Excellence funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598.
