James Belak | Searcharxiv

arXiv2023

The Common Workflow Scheduler Interface: Status Quo and Future Plans

Nowadays, many scientific workflows from different domains, such as Remote Sensing, Astronomy, and Bioinformatics, are executed on large computing infrastructures managed by resource managers. Scientific workflow management systems (SWMS) support the workflow execution and communicate with the infrastructures' resource managers. However, the communication between SWMS and resource managers is complicated by a) inconsistent interfaces between SMWS and resource managers and b) the lack of support for workflow dependencies and workflow-specific properties. To tackle these issues, we developed the Common Workflow Scheduler Interface (CWSI), a simple yet powerful interface to exchange workflow-related information between a SWMS and a resource manager, making the resource manager workflow-aware. The first prototype implementations show that the CWSI can reduce the makespan already with simple but workflow-aware strategies up to 25%. In this paper, we show how existing workflow resource management research can be integrated into the CWSI.

cs.DC↗

arXiv2021

Enabling particle applications for exascale computing platforms

The Exascale Computing Project (ECP) is invested in co-design to assure that key applications are ready for exascale computing. Within ECP, the Co-design Center for Particle Applications (CoPA) is addressing challenges faced by particle-based applications across four sub-motifs: short-range particle-particle interactions (e.g., those which often dominate molecular dynamics (MD) and smoothed particle hydrodynamics (SPH) methods), long-range particle-particle interactions (e.g., electrostatic MD and gravitational N-body), particle-in-cell (PIC) methods, and linear-scaling electronic structure and quantum molecular dynamics (QMD) algorithms. Our crosscutting co-designed technologies fall into two categories: proxy applications (or apps) and libraries. Proxy apps are vehicles used to evaluate the viability of incorporating various types of algorithms, data structures, and architecture-specific optimizations and the associated trade-offs; examples include ExaMiniMD, CabanaMD, CabanaPIC, and ExaSP2. Libraries are modular instantiations that multiple applications can utilize or be built upon; CoPA has developed the Cabana particle library, PROGRESS/BML libraries for QMD, and the SWFFT and fftMPI parallel FFT libraries. Success is measured by identifiable lessons learned that are translated either directly into parent production application codes or into libraries, with demonstrated performance and/or productivity improvement. The libraries and their use in CoPA's ECP application partner codes are also addressed.

cs.DC↗