aiidalab / aiidalab/aiidalab-docker-stack
Run a containerized code inside AiiDAlab via aiida-core
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描述
Since we will soon have aiida-core support to running containerized code installed in the docker/Singularity/Sarus, it is a good idea to have aiidalab to also support this.
However, the aiidalab is running as the container, it is not naturally supported to run docker inside the docker container.
There are essentially three ways to do this https://devopscube.com/run-docker-in-docker/:
- using /var/run/docker.sock mapped to container
- using `docker:dind` base image.
- using Sysbox runtime VM support https://github.com/nestybox/sysbox
I think for the containerized code, running code on docker has many limitations such as no decent MPI support, and output files of the docker containerized code belong to root use which can not be deleted without `sudo`.
The better way would be to have Singularity installed and supported in the aiidalab container.
But it worth to have a look at the `sysbox` image which has many high level feature supported to make the container more like a VM. It can enable Docker-in-Docker and Kubernetes-in-Docker etc.
It is easy to installed on Linux hosts and then can be used by `docker run --runtime=sysbox-runc -it ...`
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