Materials for creating Singularity container for running a very basic MPI job on Savio, where Savio's mpirun executes the singularity container in parallel.
Note that you need openMPI >= 2.1.x on Savio.
module load intel openmpi/2.1.3-intel
mpirun singularity run mpi.simg ## directly run the default command
mpirun singularity exec mpi.simg /app/quad_mpi ## alternative to invoke manually
See our general instructions for creating Singularity images for Savio for various ways to build the container.
One could also create a Singularity .def file that bootstraps off a base Ubuntu Singularity or Docker container and then converts the various Docker RUN commands found in the Dockerfile here into Singularity %post commands.