Is container-based technology a winner for high performance scientific applications?
Theodora Adufu, Jieun Choi, Yoonhee Kim · 2015
High Performance Computing (HPC) applications require systems with environments for maximum use of limited resources to facilitate efficient computations. However, these systems are faced with a large trade-off between efficient resource allocation and minimum execution times for the applications executed on them. Also, deploying applications in newer environments is exacting. To alleviate this challenge, container-based systems are recently being deployed to reduce the trade-off. In this paper, we investigate container-based technology as an efficient virtualization technology for running high performance scientific applications. We select Docker as the container-based technology for our test bed. We execute autodock3, a molecular modeling simulation software mostly used for Protein-ligand docking, in Docker containers and VMs created using OpenStack. We compare the execution times of the docking process in both Docker containers and in VMs.