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Parallel Exact Diagonalization Approach to Large Molecular Nanomagnets Modelling

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Parallel Processing and Applied Mathematics (PPAM 2017)

Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 10778))

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Abstract

The exact diagonalization method is used to calculate the energy levels of ring-shaped molecular nanomagnets of different sizes and spin numbers. Two-level hybrid parallelization is used to increase the efficiency and obtain the optimally balanced workload. The results of the successful runs of our application on two Tier-0 supercomputers are presented with emphasis on the satisfactory speedup obtained by threading the diagonalization process.

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Acknowledgments

We acknowledge PRACE for awarding us access to resource MareNostrum based in Spain at Barcelona Supercomputing Center as well as Hazel Hen in Germany at High Performance Computing Center Stuttgart.

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Authors and Affiliations

  1. Faculty of Physics, Adam Mickiewicz University, ul. Umultowska 85, 61-614, Poznań, Poland

    Michał Antkowiak

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  1. Michał Antkowiak
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Correspondence to Michał Antkowiak .

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Editors and Affiliations

  1. Czestochowa University of Technology, Czestochowa, Poland

    Roman Wyrzykowski

  2. University of Tennessee, Knoxville, Tennessee, USA

    Jack Dongarra

  3. University of Southern California, Marina Del Rey, California, USA

    Ewa Deelman

  4. Czestochowa University of Technology, Czestochowa, Poland

    Konrad Karczewski

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Antkowiak, M. (2018). Parallel Exact Diagonalization Approach to Large Molecular Nanomagnets Modelling. In: Wyrzykowski, R., Dongarra, J., Deelman, E., Karczewski, K. (eds) Parallel Processing and Applied Mathematics. PPAM 2017. Lecture Notes in Computer Science(), vol 10778. Springer, Cham. https://doi.org/10.1007/978-3-319-78054-2_33

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  • DOI: https://doi.org/10.1007/978-3-319-78054-2_33

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  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-319-78053-5

  • Online ISBN: 978-3-319-78054-2

  • eBook Packages: Computer ScienceComputer Science (R0)

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