MACE offline software apptainer image

These containers contain pre-built, optimized MACE offline software and its dependencies.

Contents

• MACE offline software apptainer image
  • Contents
  • Quick start
    • How to pull
    • How to run
      • Simple usage
      • Recommended usage
    • Container contents
    • Other usage
  • Pull command list
  • Notice
    • About SIMD

Quick start

How to pull

Pull the image by:

• apptainer pull oras://ghcr.io/zhao-shihan/mace:<tag><aux>
• <tag> can be one of the followings: mpich, openmpi, and tianhe2.
• <aux> can be nothing or -slim (do not contain G4 data, smaller in size, but you need to install Geant4 data in your machine and setup environment variables).

For example, apptainer pull oras://ghcr.io/zhao-shihan/mace:mpich pulls down an image that MPI library is MPICH, apptainer pull oras://ghcr.io/zhao-shihan/mace:tianhe2-slim pulls down an image specialized for Tianhe-2 and does not contain Geant4 data.

You should choose the correct MPI tag that compatible with MPI that installed in your machine, in order to do parallel computation correctly.

If you are going to run the image on Tianhe-2 supercomputer, here is a specialization:

• apptainer pull oras://ghcr.io/zhao-shihan/mace:tianhe2

or with -slim, up to your purpose.

How to run

Simple usage

The container contains MACE offline software and its dependencies (including ROOT and Geant4 libraries). You can run MACE simulation by

• apptainer run mace.sif SimMACE
• apptainer run mace.sif SimTarget
• apptainer run mace.sif SimEMC

Or, after executed chmod +x mace.sif, simply

• ./mace.sif SimMACE
• ./mace.sif SimTarget
• ./mace.sif SimEMC

and it should show the program interface.

Recommended usage

However, in some cases you may want to use the container from everywhere on you machine. A recommended usage is to make the container executable and add it to PATH.

First, make the container executable by

• chmod +x mace.sif

Then, copy/move the container to an installation directory (e.g. path/to/install), and (optionally) shorten its name (e.g. mace) by

• mv mace.sif path/to/install/mace

After that, add the following line in e.g. ~/.bashrc:

• export PATH=path/to/install:$PATH

This line adds the container directory into the PATH. After restarted the terminal/session, you can use the container by entering mace directly:

• mace SimMACE

and it should show the program interface.

In the remaining part, we assume that the container is used in this way, but you can always switch to the form of apptainer run.

Container contents

The container contains MACE offline software and its dependencies:

• mace SimMACE
• mace SimTarget
• mace SimEMC

This container is built upon RGB, so single-threaded ROOT and Geant4 are also contained in this container, check them by

• mace root (or mace root.exe for Tianhe-2 specialization)
• mace geant4-config --version

Common build tools like GCC, CMake, and Ninja are also provided:

• mace g++ --version
• mace cmake --version
• mace ninja --version

Other usage

Other usage should be essentially the same as RGB.

Pull command list

• apptainer pull oras://ghcr.io/zhao-shihan/mace:mpich
• apptainer pull oras://ghcr.io/zhao-shihan/mace:mpich-slim
• apptainer pull oras://ghcr.io/zhao-shihan/mace:openmpi
• apptainer pull oras://ghcr.io/zhao-shihan/mace:openmpi-slim
• apptainer pull oras://ghcr.io/zhao-shihan/mace:tianhe2
• apptainer pull oras://ghcr.io/zhao-shihan/mace:tianhe2-slim

Notice

About SIMD

SIMD support is enabled and auto-detected at runtime, by probing the host CPU features. Supported instruction sets includes x86-64-v4 (up to AVX512F, etc., binaries in /opt/x86-64-v4), x86-64-v3 (up to AVX2, AVX, FMA, etc., binaries in /opt/x86-64-v3) and x86-64-v2 (up to SSE4.2, SSSE3, SSE3, etc., binaries in /opt/x86-64-v2). It will automatically choose the most advanced instruction sets available on your machine. x86-64-v2 should be available on almost all amd64 machines, except for you grandpa's.

For Tianhe-2 specialization the adaptive SIMD is not enabled and only one implementation compiled with -march=ivybridge is contained in the container.