docker

PyFR Docker Build Instructions

Overview

These instructions use Docker to create an HPC Application Container.
If you are not familiar with creating Docker builds, please see the available Docker manuals and references.

Build System Requirements

• Git
• Docker

Inputs

Possible build-arg for the Docker build command

• IMAGE

  Default: rocm_gpu:6.2.4

  Note:
  This container needs to be build using Base ROCm GPU.

• PYFR_BRANCH

  Default: v1.15.0
  Branch/Tag found: PyFr.

Building Container

Download the contents of the PyFR-docker directory

To run the default configuration:

docker build -t mycontainer/pyfr -f /path/to/Dockerfile . 

Notes:

• mycontainer/pyfr is an example container name.
• the . at the end of the build line is important. It tells Docker where your build context is located.
• -f /path/to/Dockerfile is only required if your docker file is in a different directory than your build context. If you are building in the same directory it is not required.

To run a custom configuration, include one or more customized build-arg
DISCLAIMER: This Docker build has only been validated using the default values. Using a different base image or branch may result in build failures or poor performance.

docker build \
    -t mycontainer/pyfr \
    -f /path/to/Dockerfile \
    --build-arg IMAGE=rocm_gpu:6.2.4 \
    --build-arg ARG PYFR_BRANCH=master \
    . 

Running PyFR Container

This section describes how to launch the containers. It is assumed that up-to-versions of Docker and/or Singularity is installed on your system. If needed, please consult with your system administrator or view official documentation.

To run the PyFR Benchmarks, just replace the <PyFR Command> the examples in Running PyFR Benchmarks section of the PyFR readme. The commands can be run directly in an interactive session as well.

Docker

Docker Interactive Container

To run the container interactively, run the following command:

docker run --device=/dev/kfd \
           --device=/dev/dri \
           --security-opt seccomp=unconfined \
           -it mycontainer/pyfr bash

Docker Single Command

To run the container in a single command, as if in a batch script

docker run --device=/dev/kfd \
           --device=/dev/dri \
           --security-opt seccomp=unconfined \
           -it mycontainer/pyfr \
           <PyFR Command>

Singularity

Singularity, like Docker, can be used for running HPC containers.
To build a Singularity container from your local Docker container, run the following command

singularity build pyfr.sif  docker-daemon://mycontainer/pyfr:latest

Singularity Interactive

To launch a Singularity image build locally into an interactive session.

singularity shell \
    --no-home \
    --writable-tmpfs \
    --pwd /examples \
    pyfr.sif

Singularity Single Command

To launch a Singularity image build locally, as part of a batch script.

singularity run --no-home --writable-tmpfs pyfr.sif <PyFR Command> 

For more details on Singularity please see their User Guide