Highly Scalable Quantum Transfer Matrix Simulations of Molecule-Based Nanomagnets on a Parallel IBM BlueGene/P Architecture

• Autorzy: Antkowiak M. , Kucharski Ł. , Matysiak R. , Kamieniarz G.

Identyfikatory

DOI

10.12921/cmst.2016.22.02.003

• Języki publikacji: EN

Abstrakty

EN

In this work we present a very efficient scaling of our two applications based on the quantum transfer matrix method which we exploited to simulate the thermodynamic properties of Cr9 and Mn6 molecules as examples of the uniform and non-uniform molecular nanomagnets. The test runs were conducted on the IBM BlueGene/P supercomputer JUGENE of the Tier-0 performance class installed in the Jülich Supercomputing Centre.

Słowa kluczowe

EN

parallelization of processing; MPI; numerical simulations; magnetic rings; Heisenberg model

• Wydawca: Institute of Bioorganic Chemistry Scientific Publishers OWN, Polish Academy of Sciences
• Czasopismo: Computational Methods in Science and Technology
• Rocznik: 2016
• Tom: Vol. 22, No. 2
• Strony: 87--93
• Opis fizyczny: Bibliogr. 27 poz., rys.

Twórcy

autor

Antkowiak M.

• Faculty of Physics, A. Mickiewicz University Umultowska 85, 61-614 Pozna´n, Poland

autor

Kucharski Ł.

• Faculty of Physics, A. Mickiewicz University Umultowska 85, 61-614 Pozna´n, Poland

autor

Matysiak R.

• Institute of Engineering and Computer Education, University of Zielona Góra, ul. Prof. Szafrana 4a, 65-516 Zielona Góra, Poland

autor

Kamieniarz G.

• Faculty of Physics, A. Mickiewicz University Umultowska 85, 61-614 Pozna´n, Poland

Bibliografia

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Uwagi

PL

Opracowanie ze środków MNiSW w ramach umowy 812/P-DUN/2016 na działalność upowszechniającą naukę.