Parallel Implementation of the Density Matrix Renormalization Group Method Achieving a Quarter petaFLOPS Performance on a Single DGX-H100 GPU Node

Menczer, Andor; van Damme, Maarten; Rask, Alan; Huntington, Lee; Hammond, Jeff; Xantheas, Sotiris S.; Ganahl, Martin; Legeza, Örs

doi:10.1021/acs.jctc.4c00903

Title: Parallel Implementation of the Density Matrix Renormalization Group Method Achieving a Quarter petaFLOPS Performance on a Single DGX-H100 GPU Node

Journal Article · 19 September 2024 · Journal of Chemical Theory and Computation

DOI: https://doi.org/10.1021/acs.jctc.4c00903 · OSTI ID:2447033

Menczer, Andor ^[1]; van Damme, Maarten ^[2]; Rask, Alan ^[2]; Huntington, Lee ^[2];

^[3];

^[4]; Ganahl, Martin ^[2];

^[5]

Strongly Correlated Systems Lendület Research Group, Wigner Research Centre for Physics, H-1525 Budapest, Hungary, Eötvös Loránd University, Pázmány Péter Sétány 1/C, 1117 Budapest, Hungary
SandboxAQ, 780 High Street, Palo Alto, California 94301, United States
NVIDIA Helsinki Oy, Porkkalankatu 1, 00180 Helsinki, Finland
Advanced Computing, Mathematics, and Data Division, Pacific Northwest National Laboratory, Richland, Washington 99354, United States, Department of Chemistry, University of Washington, Seattle, Washington 98195, United States
Strongly Correlated Systems Lendület Research Group, Wigner Research Centre for Physics, H-1525 Budapest, Hungary, Dynaflex Ltd., Zrínyi u 7, 1028 Budapest, Hungary, Institute for Advanced Study,Technical University of Munich, Germany, Lichtenbergstrasse 2a, 85748 Garching, Germany, Parmenides Stiftung, Hindenburgstr. 15, 82343 Pöcking, Germany

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI ID:: 2447033

Journal Information:: Journal of Chemical Theory and Computation, Journal Name: Journal of Chemical Theory and Computation Journal Issue: 19 Vol. 20; ISSN 1549-9618

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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