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README.md

QUDA Docker Build Instructions

Overview

This document provides instructions on how to build QUDA into a Docker container that is portable between environments.

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.

  • QUDA_BRANCH

    Default: develop
    Branch/Tag found: QUDA repo

  • QMP_BRANCH

    Default: devel
    Branch/Tag found: QMP repo

  • QIO_BRANCH

    Default: master
    Branch/Tag found: QIO repo

Building Container

Download the Dockerfile

To run the default configuration:

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

Notes:

  • mycontainer 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/quda \
    -f /path/to/Dockerfile \
    --build-arg IMAGE=rocm_gpu:6.2.4 \
    --build-arg QUDA_BRANCH=master \
    --build-arg QMP_BRANCH=master \
    --build-arg QIO_BRANCH=master \
    --build-arg QDPXX_BRANCH=master \
    .

Running an QUDA Container

Both Docker and Singularity can be run interactively or as a single command.

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

Docker

For access to the tuning files, please add -v $(pwd):/tmp/ before mycontainer/quda in the following commands. This is the default location for the tuning files. To change this, add --env QUDA_RESOURCE_PATH=/path/to/location/ To run a single command docker, it will be necessary to mount the tuning files in for better performance.

Docker Interactive

docker run --rm -it --device=/dev/kfd --device=/dev/dri --security-opt seccomp=unconfined mycontainer/quda /bin/bash

Docker Single Command

docker run --rm -it --device=/dev/kfd --device=/dev/dri --security-opt seccomp=unconfined mycontainer/quda <QUDA Command>

Singularity

For access to the tuning files, please add --bind $(pwd):/tmp/ before quda.sif in the following commands. This is the default location for the tuning files. To change this, add --env QUDA_RESOURCE_PATH=/path/to/location/ To run a single command singularity, it will be necessary to mount the tuning files in for better performance.

Build Singularity image from Docker

To build a Singularity image from the locally created docker file do the following:

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

Singularity Interactive

To launch a Singularity image build locally.

singularity shell --no-home --writable-tmpfs --pwd /benchmark quda.sif

Singularity Single Command

To launch a Singularity image build locally.

singularity run --no-home --writable-tmpfs --pwd /benchmark quda.sif <QUDA Command>

Licensing Information

Your access and use of this application is subject to the terms of the applicable component-level license identified below. To the extent any subcomponent in this container requires an offer for corresponding source code, AMD hereby makes such an offer for corresponding source code form, which will be made available upon request. By accessing and using this application, you are agreeing to fully comply with the terms of this license. If you do not agree to the terms of this license, do not access or use this application.

The application is provided in a container image format that includes the following separate and independent components:

Package License URL
Ubuntu Creative Commons CC-BY-SA Version 3.0 UK License Ubuntu Legal
CMAKE OSI-approved BSD-3 clause CMake License
OpenMPI BSD 3-Clause OpenMPI License
OpenMPI Dependencies Licenses
OpenUCX BSD 3-Clause OpenUCX License
ROCm Custom/MIT/Apache V2.0/UIUC OSL ROCm Licensing Terms
QUDA MIT (Custom) QUDA
QUDA License
QMP Jefferson Science Associates LLC Copyright (Custom) QMP
QMP License
QIO Jefferson Science Associates LLC Copyright (Custom) QIO
QIO License

Additional third-party content in this container may be subject to additional licenses and restrictions. The components are licensed to you directly by the party that owns the content pursuant to the license terms included with such content and is not licensed to you by AMD. ALL THIRD-PARTY CONTENT IS MADE AVAILABLE BY AMD “AS IS” WITHOUT A WARRANTY OF ANY KIND. USE OF SUCH THIRD-PARTY CONTENT IS DONE AT YOUR SOLE DISCRETION AND UNDER NO CIRCUMSTANCES WILL AMD BE LIABLE TO YOU FOR ANY THIRD-PARTY CONTENT. YOU ASSUME ALL RISK AND ARE SOLELY RESPONSIBLE FOR ANY DAMAGES THAT MAY ARISE FROM YOUR USE OF THIRD-PARTY CONTENT.

Disclaimer

The information contained herein is for informational purposes only, and is subject to change without notice. In addition, any stated support is planned and is also subject to change. While every precaution has been taken in the preparation of this document, it may contain technical inaccuracies, omissions and typographical errors, and AMD is under no obligation to update or otherwise correct this information. Advanced Micro Devices, Inc. makes no representations or warranties with respect to the accuracy or completeness of the contents of this document, and assumes no liability of any kind, including the implied warranties of noninfringement, merchantability or fitness for particular purposes, with respect to the operation or use of AMD hardware, software or other products described herein. No license, including implied or arising by estoppel, to any intellectual property rights is granted by this document. Terms and limitations applicable to the purchase or use of AMD’s products are as set forth in a signed agreement between the parties or in AMD's Standard Terms and Conditions of Sale.

Notices and Attribution

© 2022-2024 Advanced Micro Devices, Inc. All rights reserved. AMD, the AMD Arrow logo, Instinct, Radeon Instinct, ROCm, and combinations thereof are trademarks of Advanced Micro Devices, Inc.

Docker and the Docker logo are trademarks or registered trademarks of Docker, Inc. in the United States and/or other countries. Docker, Inc. and other parties may also have trademark rights in other terms used herein. Linux® is the registered trademark of Linus Torvalds in the U.S. and other countries.

All other trademarks and copyrights are property of their respective owners and are only mentioned for informative purposes.