PyTACC: HPC Python at the texas advanced computing center

Abstract

Python-based applications at the Texas Advanced Computing Center (TACC) consume a significant and growing fraction of our computational resources. To meet this demand, TACC has developed an approach to provide its users a robust, performant, and flexible Python ecosystem. HPC Centers such as TACC have unique concerns when supporting Python due to their complex system environments and diverse user base: maintenance and usage tracking of multiple Python versions/distributions/compiler-bases and associated packages, deployment of this software in a manner that is compatible with our systems and readily usable to our users, optimization of the software to maximize scientific throughout, and user support and education.