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| 001 | 1030590 | ||
| 005 | 20241014074411.0 | ||
| 024 | 7 | _ | |2 doi |a 10.48550/arXiv.2408.17309 |
| 024 | 7 | _ | |2 datacite_doi |a 10.34734/FZJ-2024-05343 |
| 037 | _ | _ | |a FZJ-2024-05343 |
| 041 | _ | _ | |a English |
| 088 | _ | _ | |2 arXiv |a 2408.17309 |
| 100 | 1 | _ | |0 P:(DE-Juel1)191583 |a Villamar, Jose |b 0 |e Corresponding author |u fzj |
| 245 | _ | _ | |a Metadata practices for simulation workflows |
| 260 | _ | _ | |b arXiv |c 2024 |
| 336 | 7 | _ | |0 PUB:(DE-HGF)25 |2 PUB:(DE-HGF) |a Preprint |b preprint |m preprint |s 1728368733_8447 |
| 336 | 7 | _ | |2 ORCID |a WORKING_PAPER |
| 336 | 7 | _ | |0 28 |2 EndNote |a Electronic Article |
| 336 | 7 | _ | |2 DRIVER |a preprint |
| 336 | 7 | _ | |2 BibTeX |a ARTICLE |
| 336 | 7 | _ | |2 DataCite |a Output Types/Working Paper |
| 520 | _ | _ | |a Computer simulations are an essential pillar of knowledge generation in science.Understanding, reproducing, and exploring the results of simulations relies on tracking and organizing metadata describing numerical experiments.However, the models used to understand real-world systems, and the computational machinery required to simulate them, are typically complex, and produce large amounts of heterogeneous metadata.Here, we present general practices for acquiring and handling metadata that are agnostic to software and hardware, and highly flexible for the user.These consist of two steps: 1) recording and storing raw metadata, and 2) selecting and structuring metadata.As a proof of concept, we develop the Archivist, a Python tool to help with the second step, and use it to apply our practices to distinct high-performance computing use cases from neuroscience and hydrology.Our practices and the Archivist can readily be applied to existing workflows without the need for substantial restructuring.They support sustainable numerical workflows, facilitating reproducibility and data reuse in generic simulation-based research. |
| 536 | _ | _ | |0 G:(DE-HGF)POF4-5232 |a 5232 - Computational Principles (POF4-523) |c POF4-523 |f POF IV |x 0 |
| 536 | _ | _ | |0 G:(DE-HGF)POF4-1121 |a 1121 - Digitalization and Systems Technology for Flexibility Solutions (POF4-112) |c POF4-112 |f POF IV |x 1 |
| 536 | _ | _ | |0 G:(DE-Juel-1)ZT-I-PF-3-026 |a MetaMoSim - Generic metadata management for reproducible high-performance-computing simulation workflows - MetaMoSim (ZT-I-PF-3-026) |c ZT-I-PF-3-026 |x 2 |
| 536 | _ | _ | |0 G:(EU-Grant)101147319 |a EBRAINS 2.0 - EBRAINS 2.0: A Research Infrastructure to Advance Neuroscience and Brain Health (101147319) |c 101147319 |f HORIZON-INFRA-2022-SERV-B-01 |x 3 |
| 536 | _ | _ | |0 G:(DE-Juel-1)HiRSE_PS-20220812 |a Helmholtz Platform for Research Software Engineering - Preparatory Study (HiRSE_PS-20220812) |c HiRSE_PS-20220812 |x 4 |
| 536 | _ | _ | |0 G:(DE-HGF)SO-092 |a ACA - Advanced Computing Architectures (SO-092) |c SO-092 |x 5 |
| 536 | _ | _ | |0 G:(DE-Juel1)JL SMHB-2021-2027 |a JL SMHB - Joint Lab Supercomputing and Modeling for the Human Brain (JL SMHB-2021-2027) |c JL SMHB-2021-2027 |x 6 |
| 536 | _ | _ | |0 G:(DE-Juel1)jinb33_20220812 |a Brain-Scale Simulations (jinb33_20220812) |c jinb33_20220812 |f Brain-Scale Simulations |x 7 |
| 536 | _ | _ | |0 G:(EU-Grant)800858 |a ICEI - Interactive Computing E-Infrastructure for the Human Brain Project (800858) |c 800858 |f H2020-SGA-INFRA-FETFLAG-HBP |x 8 |
| 588 | _ | _ | |a Dataset connected to DataCite |
| 650 | _ | 7 | |2 Other |a Information Retrieval (cs.IR) |
| 650 | _ | 7 | |2 Other |a FOS: Computer and information sciences |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Kelbling, Matthias |b 1 |
| 700 | 1 | _ | |0 P:(DE-Juel1)190225 |a More, Heather |b 2 |u fzj |
| 700 | 1 | _ | |0 P:(DE-Juel1)144807 |a Denker, Michael |b 3 |u fzj |
| 700 | 1 | _ | |0 P:(DE-Juel1)145211 |a Tetzlaff, Tom |b 4 |u fzj |
| 700 | 1 | _ | |0 P:(DE-Juel1)162130 |a Senk, Johanna |b 5 |u fzj |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Thober, Stephan |b 6 |
| 773 | _ | _ | |a 10.48550/arXiv.2408.17309 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/1030590/files/Manuscript.pdf |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/1030590/files/Manuscript.gif?subformat=icon |x icon |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/1030590/files/Manuscript.jpg?subformat=icon-1440 |x icon-1440 |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/1030590/files/Manuscript.jpg?subformat=icon-180 |x icon-180 |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/1030590/files/Manuscript.jpg?subformat=icon-640 |x icon-640 |y OpenAccess |
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| 910 | 1 | _ | |0 I:(DE-588b)5008462-8 |6 P:(DE-Juel1)191583 |a Forschungszentrum Jülich |b 0 |k FZJ |
| 910 | 1 | _ | |0 I:(DE-588b)36225-6 |6 P:(DE-Juel1)191583 |a RWTH Aachen |b 0 |k RWTH |
| 910 | 1 | _ | |0 I:(DE-HGF)0 |6 P:(DE-HGF)0 |a Department of Computational Hydrosystems, Helmholtz-Centre for Environmental Research, Leipzig, Germany |b 1 |
| 910 | 1 | _ | |0 I:(DE-588b)5008462-8 |6 P:(DE-Juel1)190225 |a Forschungszentrum Jülich |b 2 |k FZJ |
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| 910 | 1 | _ | |0 I:(DE-HGF)0 |6 P:(DE-HGF)0 |a Department of Computational Hydrosystems, Helmholtz-Centre for Environmental Research, Leipzig, Germany |b 6 |
| 913 | 1 | _ | |0 G:(DE-HGF)POF4-523 |1 G:(DE-HGF)POF4-520 |2 G:(DE-HGF)POF4-500 |3 G:(DE-HGF)POF4 |4 G:(DE-HGF)POF |9 G:(DE-HGF)POF4-5232 |a DE-HGF |b Key Technologies |l Natural, Artificial and Cognitive Information Processing |v Neuromorphic Computing and Network Dynamics |x 0 |
| 913 | 1 | _ | |0 G:(DE-HGF)POF4-112 |1 G:(DE-HGF)POF4-110 |2 G:(DE-HGF)POF4-100 |3 G:(DE-HGF)POF4 |4 G:(DE-HGF)POF |9 G:(DE-HGF)POF4-1121 |a DE-HGF |b Forschungsbereich Energie |l Energiesystemdesign (ESD) |v Digitalisierung und Systemtechnik |x 1 |
| 914 | 1 | _ | |y 2024 |
| 915 | _ | _ | |0 StatID:(DE-HGF)0510 |2 StatID |a OpenAccess |
| 920 | _ | _ | |l yes |
| 920 | 1 | _ | |0 I:(DE-Juel1)IAS-6-20130828 |k IAS-6 |l Computational and Systems Neuroscience |x 0 |
| 920 | 1 | _ | |0 I:(DE-Juel1)IAS-9-20201008 |k IAS-9 |l Materials Data Science and Informatics |x 1 |
| 980 | _ | _ | |a preprint |
| 980 | _ | _ | |a VDB |
| 980 | _ | _ | |a UNRESTRICTED |
| 980 | _ | _ | |a I:(DE-Juel1)IAS-6-20130828 |
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| 980 | 1 | _ | |a FullTexts |
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