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International Conference on Parallel Processing and Applied Mathematics

PPAM 2019: Parallel Processing and Applied Mathematics pp 312–322Cite as

clique: A Parallel Tool for the Molecular Nanomagnets Simulation and Modelling

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Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 12044))

Abstract

A powerful program for modelling the molecular nanomagnets is presented. The exact diagonalization method is used, which gives numerically accurate results. Its main bottleneck is the diagonalization time of large matrices, however it is removed by exploiting the symmetry of the compounds and implementing the method in the parallel computing environment. The diagonalization scheduling algorithm is implemented to increase the balance of the parallel processes workload. The running times of two different diagonalization procedures are compared.

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Author information

Authors and Affiliations

  1. Faculty of Physics, Adam Mickiewicz University, ul. Uniwersytetu Poznańskiego 2, 61-614, Poznań, Poland

    Michał Antkowiak, Łukasz Kucharski & Monika Haglauer

Authors
  1. Michał Antkowiak
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  2. Łukasz Kucharski
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  3. Monika Haglauer
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Corresponding author

Correspondence to Michał Antkowiak .

Editor information

Editors and Affiliations

  1. Czestochowa University of Technology, Czestochowa, Poland

    Roman Wyrzykowski

  2. University of Southern California, Marina del Rey, CA, USA

    Ewa Deelman

  3. University of Tennessee, Knoxville, TN, USA

    Jack Dongarra

  4. Czestochowa University of Technology, Czestochowa, Poland

    Konrad Karczewski

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Antkowiak, M., Kucharski, Ł., Haglauer, M. (2020). clique: A Parallel Tool for the Molecular Nanomagnets Simulation and Modelling. In: Wyrzykowski, R., Deelman, E., Dongarra, J., Karczewski, K. (eds) Parallel Processing and Applied Mathematics. PPAM 2019. Lecture Notes in Computer Science(), vol 12044. Springer, Cham. https://doi.org/10.1007/978-3-030-43222-5_27

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  • DOI: https://doi.org/10.1007/978-3-030-43222-5_27

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  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-030-43221-8

  • Online ISBN: 978-3-030-43222-5

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