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In this article we explain how to use OpenIFS in a container environment. At present this has been tested in two different ways using Docker on a Linux workstation:

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  1. The user works interactively from inside the container and the external experiment directory is mounted as a sub-directory inside the container environment. Depending on the set up the user can either have access to the entire OpenIFS installation inside the container or the user may be prevented from accessing the source code. 
     
  2. The user only works from the experiment directory, and instead of executing the model binary program the OpenIFS run script starts up a container environment wherein the experiment runs in isolation. Immediately after the experiment has completed the container is removed. The user has no access to any part of the model installation. 

Motivation

Setting up the computing environment (the libraries, directory structure, etc) required by OpenIFS can present a challenge when it is necessary to run the model on a different hardware infrastructure, for instance during workshops and training events. It is time consuming to install and compile the model and all of its required software packages. Also, the libraries that are available on the local system may not be compatible with the model requirements.

Many of these issues can be avoided by running a containerised version of the model which is a self-sufficient code package that can be used in a consistent way on different hardware platforms. The computational overhead (the "costs") of the container environment itself is often outweighed by performance increases due to the local availability and the instant access to all required libraries and data within the container.

We have used the Docker platform to produce a container image for OpenIFS. This requires the design of a "Dockerfile" which describes the build process for the model code and all its dependent libraries, and which results in a binary Docker image. This image can be uploaded onto other computers that make use of the Docker platform or which use other compatible software. A “container” is the running instance of the Docker image. 

Pre-compiled OpenIFS Docker images can be made available for download from container image repositories (e.g. Docker Hub or Harbor) and should be able to run on any computer that uses the Docker platform without the need to install and compile the model or any additional software. The OpenIFS Docker images should also work with other container software compatible with the Open Container Initiative (OCI) standards such as Singularity or Sarus.



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Crib Sheet: Important Docker commands


Start the Docker deamon on your machine (ECMWF):

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sudo systemctl start docker
sudo systemctl restart docker
sudo systemctl status docker

which is actually:    sudo /usr/bin/systemctl status docker


Which images are on my machine:

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docker images
docker rmi oifs                       remove image oifs, might need -f option 
docker rmi $(docker images -qa)       removes all images, might need -f option 
docker save -o oifs_image.tar oifs    saves image oifs to a tar file 
docker load -i oifs_image.tar         loads saved docker image into memory


Which containers are running:

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docker ps
docker ps -a             show all containers
docker rm 6skd897asd     removes container beginning with 6sk...
docker rm $(docker ps -qa)   removes all containers, might need -f option


Build docker image:

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docker build -t <image name> .        uses file called Dockerfile 
docker build -t <image name> -f <docker file>

At ECMWF:    docker build -t oifs --build-arg http_proxy="$http_proxy" --build-arg ftp_proxy="$ftp_proxy" --build-arg https_proxy="$https_proxy" --build-arg no_proxy="$no_proxy" .


Run docker images in container:

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docker run -it ubuntu        run interactively with tty output
docker run -it oifs          run image oifs interactively
docker run -v /scratch/rd/
damk:/scratch:rw -it oifs                                    mount volume $SCRATCH inside container
docker run -v /tmp/.
X11-unix:/tmp/.X11-unix -e DISPLAY=unix$DISPLAY metview metview    allows Metview to open X Window from inside the container


Use Harbor online container registry:

Do this first:   docker login eccr.ecmwf.int

The build command below makes an image that can be pushed to harbor:   docker build -t eccr.ecmwf.int/openifs/oifs:0.0.1 -f --build-arg http_proxy="$http_proxy" --build-arg ftp_proxy="$ftp_proxy" --build-arg https_proxy="$https_proxy" --build-arg no_proxy="$no_proxy"

Then push it to harbor, manually specifying version number.  Careful: Existing version numbers are overwritten!     docker push eccr.ecmwf.int/openifs/oifs:0.0.1

Pull image from repository into memory:    docker pull eccr.ecmwf.int/openifs/oifs:0.0.1

Dockerfiles

The Dockerfile describe the build process for the Docker image. Examples for several of these files are provided in the OpenIFS git repository.

The naming convention for Dockerfiles is as such:

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Dockerfile.oifs<MODELRELEASE>.<GITHASH>.<NOTE>.<ARCH>.<TYPE>

MODELRELEASE:   A string generated from the IFS cycle, release number and OpenIFS version , e.g.  40r1v2 for CY40R1 OpenIFS release v2.

GITHASH:   The first five characters of the OpenIFS repository git commit from which this image is built.

NOTE:   An optional comment string that describes features of this build.

ARCH:  The architecture for which this image is built, e.g. x86_64, amd64, i386 etc.

TYPE:   dev, test or bld.  bld (build) to be used only for production images, such as from existing OpenIFS releases. dev should be used for images created from development branch commits.

Example:    Dockerfile.oifs40r1v2.41537.user.x86_64.bld

Example Build Process

The following describes the build process of a container image from the Dockerfile. You need the following files in your build directory:

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lrwxrwxrwx 1   45  Dockerfile -> Dockerfile.oifs40r1v2.415374d.root.x86_64.bld 
-rw-r----- 1 2.1K  Dockerfile.oifs40r1v2.415374d.root.x86_64.bld 
-rw-r----- 1  21M  oifs40r1v2.415374d.tar.gz

The Dockerfile can be obtained from the git repository. As described through the naming convention it will generate an image of OpenIFS 40r1 version 2. The partial git hash relates the Dockerfile (and image) to a specific git commit in the OpenIFS repository (in this case it relates to 415374d which is tagged as model release v2 ). The note 'root' indicates that when the image is loaded as a container the user will have root privileges. This will allow us to explore the directory structure of the container image. For convenience it is recommended to create a symbolic link to the generic name Dockerfile.

The tar archive oifs40r1v2.41537.tar.gz is created from the model sources after they have been checked out from the git repository (again the partial commit is specified). The Dockerfile will expect the tar archive in the same directory and the file name is specified.

The following command builds the image oifs40r1v2.415374d.root. The generic command is  docker build -t <image_name>  however at ECMWF four variables need to be set for network proxies in order to access the internet from within the container.

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docker build -t oifs40r1v2.415374d.root --build-arg http_proxy="$http_proxy" --build-arg ftp_proxy="$ftp_proxy" --build-arg https_proxy="$https_proxy" --build-arg no_proxy="$no_proxy" .

This starts the generation process of the image which contains the minimum of software that is required to run OpenIFS. The image is based on a Ubuntu Linux LTS version and in a first step the necessary developer tools are installed (e.g. GNU compiler, MPI and maths libraries). Afterwards the ecCodes library is obtained via download from the web and compiled with minimum settings. Then the OpenIFS sources are added from the tar archive, required environment variables are set and the model binaries are compiled. During a last step various file permissions are set and the model executable is moved to a globally accessible location.

At the end of the build process the successful image creation is shown as: 
Successfully tagged oifs40r1v2.415374d.root:latest


Info

Dockerfiles with the note 'user' instead of 'root' in their filename contain an additional step wherein a user account is created in the image. In this case, once the image has been loaded as a container, the user has only access to their own home directory in the container and only the model binaries can be accessed. The model sources are hidden from the user.


Now we can verify the that the image is available and load it into a container:

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$ docker images
REPOSITORY                TAG                 IMAGE ID            CREATED             SIZE
oifs40r1v2.415374d.root   latest              982f6e82bb93        39 minutes ago      873MB
ubuntu                    latest              72300a873c2c        13 days ago         64.2MB

$ docker run -it oifs40r1v2.415374d.root
root@38b1649e05b9:/#

Our command line prompt has changed as we are now 'root' inside the container. With the command 'exit' the container is removed and all file changes in the container are lost. A file listing shows the directory structure inside the container. The OpenIFS model is installed in /oifs

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root@38b1649e05b9:/# ls -F

bin/   dev/  home/  lib64/  mnt/   opt/   root/  sbin/  sys/  usr/
boot/  etc/  lib/   media/  oifs/  proc/  run/   srv/   tmp/  var/