Back when Singularity was just getting off the ground, the idea was to create a container technology that would be optimized for the kinds of performance-demanding environments used for scientific computing. In particular, it Singularity offers built-in support for HPC-type hardware like GPUs and InfiniBand and compatibility with HPC job schedulers such as SLURM and Torque. It also natively supports MPI, the standard message passing interface used by HPC applications
Containers, in general, are an attractive technology for HPC in that they create a virtual environment for applications without the performance penalties associated with virtual machines (VMs). (They do this mainly by doing away with the virtualized hardware layer of VMs.) This can simplify the deployment of applications across different clusters and supercomputers by avoiding the laborious process of rehosting those applications for each distinct environment…
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