OpenMP, OpenMP/MPI, and CUDA/MPI C programs for solving the time-dependent dipolar Gross-Pitaevskii equation

DOI10.1016/J.CPC.2016.07.029zbMATH Open1380.65474arXiv1610.05329OpenAlexW2514049505WikidataQ131716385 ScholiaQ131716385MaRDI QIDQ1682964FDOQ1682964

Authors: Vladimir Lončar, Luis E. Young-S., Paulsamy Muruganandam, S. K. Adhikari, Antun Balaž, Srdjan Škrbić 

Publication date: 6 December 2017

Published in: Computer Physics Communications (Search for Journal in Brave)

Abstract: We present new versions of the previously published C and CUDA programs for solving the dipolar Gross-Pitaevskii equation in one, two, and three spatial dimensions, which calculate stationary and non-stationary solutions by propagation in imaginary or real time. Presented programs are improved and parallelized versions of previous programs, divided into three packages according to the type of parallelization. First package contains improved and threaded version of sequential C programs using OpenMP. Second package additionally parallelizes three-dimensional variants of the OpenMP programs using MPI, allowing them to be run on distributed-memory systems. Finally, previous three-dimensional CUDA-parallelized programs are further parallelized using MPI, similarly as the OpenMP programs. We also present speedup test results obtained using new versions of programs in comparison with the previous sequential C and parallel CUDA programs. The improvements to the sequential version yield a speedup of 1.1 to 1.9, depending on the program. OpenMP parallelization yields further speedup of 2 to 12 on a 16-core workstation, while OpenMP/MPI version demonstrates a speedup of 11.5 to 16.5 on a computer cluster with 32 nodes used. CUDA/MPI version shows a speedup of 9 to 10 on a computer cluster with 32 nodes.

Full work available at URL: https://arxiv.org/abs/1610.05329

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zbMATH Keywords

MPIGPUBose-Einstein condensateGross-Pitaevskii equationdipolar atomssplit-step Crank-Nicolson schemeOpenMPCUDA program

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Packaged methods for numerical algorithms (65Y15) Finite difference methods for boundary value problems involving PDEs (65N06) Applications to the sciences (65Z05) Quantum equilibrium statistical mechanics (general) (82B10)

Cited In (14)

• Expansion dynamics of a cylindrical-shell-shaped strongly dipolar condensate
• From optics to dark matter: a review on nonlinear Schrödinger-Poisson systems
• CUDA programs for solving the time-dependent dipolar Gross-Pitaevskii equation in an anisotropic trap
• Hybrid OpenMP/MPI programs for solving the time-dependent Gross-Pitaevskii equation in a fully anisotropic trap
• OpenNTP: implementation of the \(\mathrm{S_N}\) method in cartesian 2D geometry and the CP method in cylindrical and spherical 1D geometry
• BEC2HPC: a HPC spectral solver for nonlinear Schrödinger and rotating Gross-Pitaevskii equations. Stationary states computation
• GPU-accelerated solutions of the nonlinear Schrödinger equation for simulating 2D spinor BECs
• Effect of quartic-quintic beyond-mean-field interactions on a self-bound dipolar droplet
• Mini droplet, mega droplet and stripe formation in a dipolar condensate
• OpenMP GNU and intel Fortran programs for solving the time-dependent Gross-Pitaevskii equation
• Spin-1 spin-orbit- and Rabi-coupled Bose-Einstein condensate solver
• A fast and accurate coupled meshless algorithm for the 2D/3D Gross-Pitaevskii equations on two GPUs
• Parallel physics-informed neural networks via domain decomposition
• OpenMP Fortran and C programs for solving the time-dependent Gross-Pitaevskii equation in an anisotropic trap

Uses Software

• CUDA
• FFTW
• 2DECOMP
• GP-SCL

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