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Found 16 Documents (Results 1–16)

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Andersson, Måns I.; Murugan, Natarajan Arul; Podobas, Artur; Markidis, Stefano

Breaking down the parallel performance of GROMACS, a high-performance molecular dynamics software. (English) Zbl 1533.65008

Wyrzykowski, Roman (ed.) et al., Parallel processing and applied mathematics. 14th international conference, PPAM 2022, Gdansk, Poland, September 11–14, 2022. Revised selected papers. Part I. Cham: Springer. Lect. Notes Comput. Sci. 13826, 333-345 (2023).
MSC:  65C05 65T50 65Y05 82-04 82M37
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Arnold, Axel; Lenz, Olaf; Kesselheim, Stefan; Weeber, Rudolf; Fahrenberger, Florian; Roehm, Dominic; Košovan, Peter; Holm, Christian

ESPResSO 3.1: molecular dynamics software for coarse-grained models. (English) Zbl 1269.82007

Griebel, Michael (ed.) et al., Meshfree methods for partial differential equations VI. Selected papers of the sixth international workshop, Bonn, Germany, October 4–6, 2011. Berlin: Springer (ISBN 978-3-642-32978-4/hbk; 978-3-642-32979-1/ebook). Lecture Notes in Computational Science and Engineering 89, 1-23 (2013).
MSC:  82-04 76M28 82-08 65Y10 82D60
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