Wilkins: HPC In Situ Workflows Made Easy
| Frontiers in High Performance Computing, vol. 2, 2024. |
Abstract
In situ approaches can accelerate the pace of scientific discoveries by allowing
scientists to perform data analysis at simulation time. Current in situ workflow
systems, however, face challenges in handling the growing complexity and diverse
computational requirements of scientific tasks. In this work, we present Wilkins, an in
situ workflow system that is designed for ease-of-use while providing scalable and
efficient execution of workflow tasks. Wilkins provides a flexible workflow description
interface, employs a high-performance data transport layer based on HDF5, and supports
tasks with disparate data rates by providing a flow control mechanism. Wilkins
seamlessly couples scientific tasks that already use HDF5, without requiring task code
modifications. We demonstrate the above features using both synthetic benchmarks and two
science use cases in materials science and cosmology.