AMD ROCm containers¶

AMD ROCM Logo

What is AMD ROCm¶

The AMD Infinity Hub contains a collection of advanced AMD GPU software containers and deployment guides for HPC, AI & Machine Learning applications, enabling researchers to speed up their time to science. Containerized applications run quickly and reliably in the high performance computing environment with full support of AMD GPUs. A collection of Infinity Hub tools were deployed to extend cluster capabilities and to enable powerful software and deliver the fastest results. By utilizing Singularity and Infinity Hub ROCm-enabled containers, users can focus on building lean models, producing optimal solutions and gathering faster insights. For more information, please visit AMD Infinity Hub.

Getting Started¶

Users can download ROCm containers from the AMD Infinity Hub and run them directly using Singularity instructions from the corresponding container’s catalog page.

In addition, a subset of pre-downloaded ROCm containers wrapped into convenient software modules are provided. These modules wrap underlying complexity and provide the same commands that are expected from non-containerized versions of each application.

On clusters equipped with AMD GPUs, type the command below to see the lists of ROCm containers we deployed.

$ module load rocmcontainers
$ module avail
# Example output
------------ ROCm-based application container modules for AMD GPUs -------------
    cp2k/20210311--h87ec1599
    deepspeed/rocm4.2_ubuntu18.04_py3.6_pytorch_1.8.1
    gromacs/2020.3  (D)
    namd/2.15a2
[....]

Available ROCm Containers on RCAC Clusters¶

As of June 04, 2026, there have been a total of 12 ROCm containers with 47 available versions deployed across 2 RCAC HPC clusters: BELL, NEGISHI.

Container

Available at

cp2k

BELL, NEGISHI

deepspeed

BELL, NEGISHI

gromacs

BELL, NEGISHI

lammps

BELL, NEGISHI

namd

BELL, NEGISHI