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Design of Neko—A Scalable High‐Fidelity Simulation Framework With Extensive Accelerator Support
KTH, School of Electrical Engineering and Computer Science (EECS), Centres, Centre for High Performance Computing, PDC.ORCID iD: 0000-0002-5020-1631
KTH, School of Electrical Engineering and Computer Science (EECS), Computer Science, Computational Science and Technology (CST).ORCID iD: 0000-0003-3374-8093
KTH, School of Electrical Engineering and Computer Science (EECS), Computer Science, Computational Science and Technology (CST).ORCID iD: 0000-0003-1669-7714
KTH, School of Electrical Engineering and Computer Science (EECS), Computer Science, Computational Science and Technology (CST).ORCID iD: 0000-0003-0639-0639
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2025 (English)In: Concurrency and Computation, ISSN 1532-0626, E-ISSN 1532-0634, Vol. 37, no 2, article id e8340Article in journal (Refereed) Published
Abstract [en]

Recent trends and advancements in including more diverse and heterogeneous hardware in High-Performance Computing (HPC) are challenging scientific software developers in their pursuit of efficient numerical methods with sustained performance across a diverse set of platforms. As a result, researchers are today forced to re-factor their codes to leverage these powerful new heterogeneous systems. We present our design considerations of Neko—a portable framework for high-fidelity spectral element flow simulations. Unlike prior works, Neko adopts a modern object-oriented Fortran 2008 approach, allowing multi-tier abstractions of the solver stack and facilitating various hardware backends ranging from general-purpose processors, accelerators down to exotic vector processors and Field-Programmable Gate Arrays (FPGAs). Focusing on the performance and portability of Neko, we describe the framework's device abstraction layer managing device memory, data transfer and kernel launches from Fortran, allowing for a solver written in a hardware-neutral yet performant way. Accelerator-specific optimizations are also discussed, with auto-tuning of key kernels and various communication strategies using device-aware MPI. Finally, we present performance measurements on a wide range of computing platforms, including the EuroHPC pre-exascale system LUMI, where Neko achieves excellent parallel efficiency for a large direct numerical simulation (DNS) of turbulent fluid flow using up to 80% of the entire LUMI supercomputer.

Place, publisher, year, edition, pages
Wiley , 2025. Vol. 37, no 2, article id e8340
National Category
Computational Mathematics Computer Sciences
Identifiers
URN: urn:nbn:se:kth:diva-358042DOI: 10.1002/cpe.8340ISI: 001387473600001Scopus ID: 2-s2.0-85213688601OAI: oai:DiVA.org:kth-358042DiVA, id: diva2:1924243
Funder
Swedish Research Council, 2019‐04723Swedish e‐Science Research Center, SESSIEU, Horizon Europe, 101093393
Note

QC 20250122

Available from: 2025-01-03 Created: 2025-01-03 Last updated: 2025-01-22Bibliographically approved

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Jansson, NiclasKarp, MartinWahlgren, JacobMarkidis, StefanoSchlatter, Philipp

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