Get started

Clone the LAMMPS docker container

• To clone the LAMMPS container: docker pull cbgeo/lammps:latest. The tag latest is not required. This clones the cbgeo/lammps container from the Docker Hub.

docker pull cbgeo/lammps

Using default tag: latest
Trying to pull repository docker.io/cbgeo/lammps ... 
sha256:bae487335973fb836b209f3834fab17093bbc7d3060b475322d7c0da2fb0e798: Pulling from docker.io/cbgeo/lammps
d5e46245fe40: Pull complete 
6fc0632c5d83: Pull complete 
997f11b9bffd: Pull complete 
Digest: sha256:bae487335973fb836b209f3834fab17093bbc7d3060b475322d7c0da2fb0e798
Status: Downloaded newer image for docker.io/cbgeo/lammps:latest

Running the LAMMPS image

• To launch the cbgeo/lammps docker container, run docker run -ti cbgeo/lammps:latest /bin/bash

Once logged in you can run /opt/lammps/src/lmp_serial -i /opt/lammps/examples/granregion/in.granregion.mixer

Running a container with a local volume mounted

• docker run -ti -v /home/<user>/<mounted-folder>/:/<path-in-container> cbgeo/lammps:latest

Users running Linux distributions with SELinux enabled (Redhat, CentOS, Fedora, and others) will need to add the :z option to all subsequent host volume mounts -v, e.g.: docker run -it -v $(pwd):/home/cbgeo/research/lem-shared/:z quay.io/cbgeo/lem:latest /bin/bash.

Connecting to a running container

• docker exec -ti <containerid> /bin/bash

Start / stop a container

• docker start <containerid>

• docker stop <containerid>

Delete a container

• docker rm <containerid>, stop the container before deleting it.

• To delete all docker containers docker rm $(docker ps -a -q)

To login as root

• Launching docker as root user: docker exec -u 0 -ti <containerid> /bin/bash

Exposing ports

• Let's run the tensor flow container docker run -ti tensorflow/tensorflow.

• However, when we ran it the host and the container ports are not bound.

• To connect to a particular port (for e.g., 8888) in docker container to port 8888 in localhost: docker run -ti -p 8888:8888 tensorflow/tensorflow