5–6 Oct 2022
virtual, details will be shared with you after registration
Europe/Berlin timezone

Tracking large-scale simulations through unified metadata handling

2-33
Not scheduled
1h
virtual, details will be shared with you after registration

virtual, details will be shared with you after registration

Board: 2-33
Poster Postersession Postersession II

Speaker

Jose Villamar (Institute of Neuroscience and Medicine (INM-6) and Institute for Advanced Simulation (IAS-6) and JARA-Institute Brain Structure-Function Relationships (INM-10), Jülich Research Centre, Jülich, Germany; RWTH Aachen University, Aachen, Germany)

Description

Simulation is an essential pillar of knowledge generation in science. The numerical models used to describe, predict, and understand real-world systems are typically complex. Consequently, applying these models by means of simulation often poses high demands on computational resources, and requires high-performance computing (HPC) or other dedicated hardware architectures. Metadata describing the details of a numerical experiment arise at all stages of the simulation process: the conceptual description of the model, the model implementation, and the tools and machines used to run the simulation. Capturing these metadata and provenance information along the processing chain is a vital requirement for several purposes, e.g. reproducibility, benchmarking and validation, assessment of the reliability of the simulations, and data exploration¹². The ability to search, share, and evaluate metadata and provenance traces from heterogeneous simulations and environments is a major challenge in provenance-driven analysis. The availability of a common metadata framework, which can be adopted by scientists from different scientific domains, would foster the meta-analysis of HPC simulation workflows³. Here, we develop a metadata management framework for generic HPC-based simulation research comprising concepts and tools for efficiently generating, organizing, and exploring metadata along a given simulation workflow. The derived solutions cope with the modularity and flexibility demands of rapidly progressing science and are applicable to diverse research fields. As a proof of concept, we will apply these solutions to use cases from environmental research and computational neuroscience.

References:
1. Guilyardi, E., et. al. (2013) doi: 10.1175/BAMS-D-11-00035.1
2. Manninen, T., et. al. (2018) doi: 10.3389/fninf.2018.00020
3. Ivie, P., & Thain, D. (2018) doi: 10.1145/3186266

Acknowledgements:
The authors would like to thank Jan Bumberger, Helen Kollai, Michael Denker, Rainer Stotzka, Guido Trensch, and Stefan Sandfeld for ongoing fruitful discussion. This project was funded by Helmholtz Metadata Collaboration (HMC) ZT-I-PF-3-026, EU Grant 945539 (HBP), Helmholtz IVF Grant SO-092 (ACA), and Joint lab SMHB; compute time was granted by VSR computation grant JINB33, Jülich. The work was carried out in part within the HMC Hub Information at the Forschungszentrum Jülich.

In addition please add keywords.

Metadata-Framework, High-Performance-Computing, Simulation-Workflow, Reproducibility, Re-usability

Please assign your poster to one of the following keywords. Processes/Policies
Please assign yourself (presenting author) to one of the stakeholders. Scientist/ Data Producer

Primary authors

Jose Villamar (Institute of Neuroscience and Medicine (INM-6) and Institute for Advanced Simulation (IAS-6) and JARA-Institute Brain Structure-Function Relationships (INM-10), Jülich Research Centre, Jülich, Germany; RWTH Aachen University, Aachen, Germany) Matthias Kelbling (Dept. Computational Hydrosystems, Helmholtz-Centre for Environmental Research, Leipzig, Germany) Dennis Terhorst (Institute of Neuroscience and Medicine (INM-6) and Institute for Advanced Simulation (IAS-6) and JARA-Institute Brain Structure-Function Relationships (INM-10), Jülich Research Centre, Jülich, Germany) Heather More (Institute of Neuroscience and Medicine (INM-6) and Institute for Advanced Simulation (IAS-6) and JARA-Institute Brain Structure-Function Relationships (INM-10), Jülich Research Centre, Jülich, Germany; Institute for Advanced Simulation (IAS-9), Jülich Research Centre, Jülich, Germany) Tom Tetzlaff (Institute of Neuroscience and Medicine (INM-6) and Institute for Advanced Simulation (IAS-6) and JARA-Institute Brain Structure-Function Relationships (INM-10), Jülich Research Centre, Jülich, Germany) Johanna Senk (Institute of Neuroscience and Medicine (INM-6) and Institute for Advanced Simulation (IAS-6) and JARA-Institute Brain Structure-Function Relationships (INM-10), Jülich Research Centre, Jülich, Germany) Stephan Thober (Dept. Computational Hydrosystems, Helmholtz-Centre for Environmental Research, Leipzig, Germany)

Presentation materials