README.md

InfinityHub-CI

The purpose of this Repository is to provide a way to build containers similar to what are provided on AMD's Infinity Hub.
Each builds provides parameters to specify different source code branches, release versions of ROCm, OpenMPI, UCX, UCC, and different versions Ubuntu to be build in.

• Applications Recipes
• User Guides

Single-Node Server Requirements

CPUs	GPUs	Operating Systems	ROCm™ Driver	Container Runtimes
X86_64 CPU(s)	AMD Instinct MI300A/X APU/GPU(s) AMD Instinct MI200 GPU(s) AMD Instinct MI100 GPU(s)	Ubuntu RHEL SLES Oracle Linux	ROCm Latest	Docker Engine Singularity

For ROCm installation procedures and validation checks, see:

• ROCm Documentation
• AMD Lab Notes ROCm installation notes.
• ROCm Examples

Applications:

Application	Builds	ROCm Version	Domains
AMD ROCm with GPU-Aware MPI Container	Docker	6.3	Tools Libraries
AMD ROCm with Conda Environment Container	Docker	latest	Tools Libraries
AMD's implementation of Gromacs with HIP	Baremetal Docker	latest	Molecular Dynamics
Ansys Fluent	Baremetal Docker	latest	Computational Fluid Dynamics
Ansys Mechanical	Application Details	5.x	Finite Element Analysis
Amber	Amber Details	latest	Molecular Dynamics
BabelStream	Container Instructions	5.3	Benchmark
Cholla	Baremetal Docker	latest	Astrophysics
Chroma	Docker	lastest	Physics
Cadence Fidelity LES	Application Details	5.x	Computational Fluid Dynamics
DevitoPRO	Docker Virtual Environment	latest	Energy Oil and Gas
CP2K	Baremetal Docker	latest	Electronic Structure
Grid	Docker	latest	Physics
HPCG	Baremetal Docker	latest	Benchmark
Kokkos	Docker	latest	Tools Libraries
LAMMPS	Baremetal Docker	latest	Molecular Dynamics
MILC	Docker	latest	Physics
Mini-HACC	Container Instructions	5.3	Astrophysics
MPAS	Baremetal	latest	Climate Weather
NAMD	Container Instructions	4.3/4.5	Molecular Dynamics
NEKO	Docker	latest	Computational Fluid Dynamics
nekRS	Docker	latest	Computational Fluid Dynamics
NWChem	Container Instructions	5.3	Computational Chemistry
OpenFOAM with PETSc Solver	Docker	latest	Computational Fluid Dynamics
OpenMM	Docker	5.7	Molecular Dynamics
PeleC	Docker	latest	Computational Fluid Dynamics
PETSc	Docker	latest	Tools Libraries
PIConGPU	Docker	latest	Physics
PyFR	Docker	latest	Tools Libraries
QUDA	Docker	latest	Computational Chemistry
QMCPACK	Docker	latest	Quantum Monte Carlo Simulation
RAJA	Docker	latest	Tools Libraries
RELION	Container Instructions	5.3	Electronic Structure
rocHPL	Docker Spack Docker Spack	latest	Benchmark
rocHPL-MxP	Docker	latest	Benchmark
Siemens StarCCM+	Baremetal Docker	latest	Computational Fluid Dynamics
SPECFEM3D - Cartesian	Spack Docker	latest	Geophysics
Stone Ridge Technology ECHELON	Application Details	6.x	Energy Oil and Gas
Trilinos	Docker	latest	Tools Libraries
VLLM	Docker	latest	Tools LLM

User Guides

Guides	Topics
AMD Next Gen Fortran	Compiler