Massively parallel implementation and approaches to simulate quantum dynamics using Krylov subspace techniques

We have developed an application and implemented parallel algorithms in order to provide a computational framework suitable for massively parallel supercomputers to study the unitary dynamics of quantum systems. We use renowned parallel libraries such as PETSc/SLEPc combined with high-performance co...

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Vydáno v:Computer physics communications Ročník 235; s. 477 - 488
Hlavní autoři: Brenes, Marlon, Varma, Vipin Kerala, Scardicchio, Antonello, Girotto, Ivan
Médium: Journal Article
Jazyk:angličtina
Vydáno: Elsevier B.V 01.02.2019
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ISSN:0010-4655, 1879-2944
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Abstract We have developed an application and implemented parallel algorithms in order to provide a computational framework suitable for massively parallel supercomputers to study the unitary dynamics of quantum systems. We use renowned parallel libraries such as PETSc/SLEPc combined with high-performance computing approaches in order to overcome the large memory requirements to be able to study systems whose Hilbert space dimension comprises over 9 billion independent quantum states. Moreover, we provide descriptions of the parallel approach used for the three most important stages of the simulation: handling the Hilbert subspace basis, constructing a matrix representation for a generic Hamiltonian operator and the time evolution of the system by means of the Krylov subspace methods. We employ our setup to study the evolution of quasidisordered and clean many-body systems, focussing on the return probability and related dynamical exponents: the large system sizes accessible provide novel insights into their thermalization properties. Program Title: DSQMKryST Program Files doi:http://dx.doi.org/10.17632/f6vty3wkwj.1 Licensing provisions: BSD 3-clause Programming language: C++ Supplementary material:https://github.com/mbrenesn/DSQMKryST External routines/libraries: PETSc (https://www.mcs.anl.gov/petsc/), SLEPc (http://slepc.upv.es), Boost C++ (http://www.boost.org) Nature of problem: Unitary dynamics of quantum mechanical many-body systems Solution method: Krylov subspace techniques (Arnoldi procedure) with a massively parallel, distributed memory approach
AbstractList We have developed an application and implemented parallel algorithms in order to provide a computational framework suitable for massively parallel supercomputers to study the unitary dynamics of quantum systems. We use renowned parallel libraries such as PETSc/SLEPc combined with high-performance computing approaches in order to overcome the large memory requirements to be able to study systems whose Hilbert space dimension comprises over 9 billion independent quantum states. Moreover, we provide descriptions of the parallel approach used for the three most important stages of the simulation: handling the Hilbert subspace basis, constructing a matrix representation for a generic Hamiltonian operator and the time evolution of the system by means of the Krylov subspace methods. We employ our setup to study the evolution of quasidisordered and clean many-body systems, focussing on the return probability and related dynamical exponents: the large system sizes accessible provide novel insights into their thermalization properties. Program Title: DSQMKryST Program Files doi:http://dx.doi.org/10.17632/f6vty3wkwj.1 Licensing provisions: BSD 3-clause Programming language: C++ Supplementary material:https://github.com/mbrenesn/DSQMKryST External routines/libraries: PETSc (https://www.mcs.anl.gov/petsc/), SLEPc (http://slepc.upv.es), Boost C++ (http://www.boost.org) Nature of problem: Unitary dynamics of quantum mechanical many-body systems Solution method: Krylov subspace techniques (Arnoldi procedure) with a massively parallel, distributed memory approach
Author Scardicchio, Antonello
Girotto, Ivan
Varma, Vipin Kerala
Brenes, Marlon
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Keywords Unitary quantum dynamics
Strongly interacting systems
Krylov subspace methods
Distributed memory parallelism
Language English
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Snippet We have developed an application and implemented parallel algorithms in order to provide a computational framework suitable for massively parallel...
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StartPage 477
SubjectTerms Distributed memory parallelism
Krylov subspace methods
Strongly interacting systems
Unitary quantum dynamics
Title Massively parallel implementation and approaches to simulate quantum dynamics using Krylov subspace techniques
URI https://dx.doi.org/10.1016/j.cpc.2018.08.010
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