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Leveraging HPC accelerator architectures with modern techniques — hydrologic modeling on GPUs with ParFlow

A Correction to this article was published on 12 August 2021

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Abstract

Rapidly changing heterogeneous supercomputer architectures pose a great challenge to many scientific communities trying to leverage the latest technology in high-performance computing. Many existing projects with a long development history have resulted in a large amount of code that is not directly compatible with the latest accelerator architectures. Furthermore, due to limited resources of scientific institutions, developing and maintaining architecture-specific ports is generally unsustainable. In order to adapt to modern accelerator architectures, many projects rely on directive-based programming models or build the codebase tightly around a third-party domain-specific language or library. This introduces external dependencies out of control of the project. The presented paper tackles the issue by proposing a lightweight application-side adaptor layer for compute kernels and memory management resulting in a versatile and inexpensive adaptation of new accelerator architectures with little draw backs. A widely used hydrologic model demonstrates that such an approach pursued more than 20 years ago is still paying off with modern accelerator architectures as demonstrated by a very significant performance gain from NVIDIA A100 GPUs, high developer productivity, and minimally invasive implementation; all while the codebase is kept well maintainable in the long-term.

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Acknowledgements

The work described in this paper has received funding from the Helmholtz Association (HGF) through the project “Advanced Earth System Modeling Capacity (ESM) and the Pilot Laboratory Exa-ESM. The authors gratefully acknowledge the computing time granted through the ESM test partition on the supercomputer JUWELS at the Jülich Supercomputing Centre, Forschungszentrum Jülich, Germany. The authors also gratefully acknowledge support from the European Commission Horizon 2020 research and innovation program under Grant Agreement No. 824158 (EoCoE-II). Furthermore, NVIDIA Application Lab at the Jülich Supercomputing Centre is thanked for technical support regarding the CUDA implementation. Finally, the foundations for the ParFlow eDSL were laid by Steven Smith, Rob Falgout, and Chuck Baldwin, all from Lawrence Livermore National Laboratory, USA.

Code availability

ParFlow source code is covered by the GNU Lesser General Public License and is available in a public repository at https://github.com/parflow (last access: 27th October 2020). The commit 974c7bb dated 21st October 2020 was used in this paper.

Funding

Open Access funding enabled and organized by Projekt DEAL.

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Authors and Affiliations

Authors

Contributions

Jaro Hokkanen performed the technical developments, analyses, and wrote the manuscript; Stefan Kollet advised on ParFlow technical issues, contributed to the analyses, and co-wrote the manuscript; Jiri Kraus, Andreas Herten, and Markus Hrywniak provided technical support regarding the implementation, optimization, and the HPC environment; Dirk Pleiter contributed to the analyses and the manuscript.

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Correspondence to Jaro Hokkanen.

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Hokkanen, J., Kollet, S., Kraus, J. et al. Leveraging HPC accelerator architectures with modern techniques — hydrologic modeling on GPUs with ParFlow. Comput Geosci 25, 1579–1590 (2021). https://doi.org/10.1007/s10596-021-10051-4

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  • DOI: https://doi.org/10.1007/s10596-021-10051-4

Keywords

  • High-performance computing (HPC)
  • GPU computing
  • Distributed memory parallelism
  • Accelerator architecture
  • Domain-specific language (DSL)

Mathematics Subject Classification (2010)

  • 65Y05
  • 68–04
  • 68N19