In Automatic Dependency Management for Scientific workflows (paper slides) we introduce a tool for software environments deployments in clusters. This tool, called the vc3-builder, has minimal dependencies and a lightbootstrap, which allows it to be deployed along batch jobs. The vc3-builder then install any missing software using only user-privileges (e.g., no sudo) so that the actual user payload can be executed. The vc3-builder is being developed as part of the DOE funded Virtual Clusters for Community Computation (VC3) project, in which users can construct custom short-lived virtual clusters across different computational sites.
In MAKER as a Service: Moving HPC applications to Jetstream Cloud (paper poster slides) we discussed the lessons learn in migrating MAKER, a traditional HPC application, to the cloud. This focused on issues like recreating the software stack using VC3-Bulder, addressing the lack of shared filesystems and inter-node communications with Work Queue, and building the application focused on user feedback allowing for informed decisions in the cloud. Using WQ-MAKER we were able to run MAKER not only on Jetstream, but also resources from Notre Dame's Condor cluster. Below you can see the systems architecture.