Vanessa Sochat and I recently completed a little study of Singularity, the container system that brings the advantages of Docker-style encapsulation to HPC.  If you are interested this is now a supplementary chapter to the book “Cloud Computing for Science and Engineering” that is being published by MIT Press.  You can see the chapter here: https://cloud4scieng.org/singularity-a-container-system-for-hpc-applications/  The chapter has a high level overview and a brief tutorial showing how to build a singularity container for an MPI application and how to run it on an small cluster on AWS.