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

Marlon Brenes (Corresponding author), Vipin Kerala Varma, Antonello Scardicchio, Ivan Girotto

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Uittreksel

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 summary: 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

Originele taal-2Engels
Pagina's (van-tot)477-488
Aantal pagina's12
TijdschriftComputer Physics Communications
Volume235
DOI's
StatusGepubliceerd - 1 feb 2019

Vingerafdruk

Data storage equipment
Hamiltonians
Supercomputers
Hilbert spaces
Parallel algorithms
Computer programming languages
distributed memory
Mathematical operators
licensing
programming languages
supercomputers
Hilbert space
acceleration (physics)
files
exponents
operators
requirements
matrices
simulation

Citeer dit

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Massively parallel implementation and approaches to simulate quantum dynamics using Krylov subspace techniques. / Brenes, Marlon (Corresponding author); Varma, Vipin Kerala; Scardicchio, Antonello; Girotto, Ivan.

In: Computer Physics Communications, Vol. 235, 01.02.2019, blz. 477-488.

Onderzoeksoutput: Bijdrage aan tijdschriftTijdschriftartikelAcademicpeer review

TY - JOUR

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AU - Scardicchio, Antonello

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AB - 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 summary: 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

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