This appliance is built on top of Ubuntu 22.04 and comes preconfigured with CUDA 12.8 and the NVIDIA driver version 575 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 MPICH, run:

module load mpich

The loaded MPICH is already installed with CUDA support.

You can now run CUDA-MPI programs using MPICH. Here's a simple example program:

wget https://raw.githubusercontent.com/pmodels/mpich/master/examples/cuda/cudapi.cu
nvcc -ccbin mpicxx -o cudapi cudapi.cu
mpirun -np 4 ./cudapi

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

spack install <package-name> +cuda    # Enables CUDA support