This appliance is built on top of Ubuntu 22.04 and comes configured with ROCm 6.4.2 for GPU-accelerated computing. It also includes Spack for flexible software management and Lmod (Lua Modules). Both MPICH and OpenMPI are installed and can be easily managed using module commands. You can use the module load and module unload commands to manage software packages for your HPC workloads.

To load OpenMPI, run:

module load openmpi

The loaded OpenMPI is already installed with rocm support.

You can now compile and run ROCm-MPI programs using HIP. For example:

export OMPI_CC=hipcc
mpicc -o ./hello ./hello.cpp
mpirun -n 3 ./hello

If you want to install a new package using Spack. Use the +rocm variant to enable ROCm support during installation:

spack install <package-name> +rocm    # Enables ROCm support