Hybrid OpenMP/MPI programs for solving the time-dependent Gross-Pitaevskii equation in a fully anisotropic trap. We present hybrid OpenMP/MPI (Open Multi-Processing/Message Passing Interface) parallelized versions of earlier published C programs (Vudragović et al. 2012) for calculating both stationary and non-stationary solutions of the time-dependent Gross–Pitaevskii (GP) equation in three spatial dimensions. The GP equation describes the properties of dilute Bose–Einstein condensates at ultra-cold temperatures. Hybrid versions of programs use the same algorithms as the C ones, involving real- and imaginary-time propagation based on a split-step Crank–Nicolson method, but consider only a fully-anisotropic three-dimensional GP equation, where algorithmic complexity for large grid sizes necessitates parallelization in order to reduce execution time and/or memory requirements per node. Since distributed memory approach is required to address the latter, we combine MPI programming paradigm with existing OpenMP codes, thus creating fully flexible parallelism within a combined distributed/shared memory model, suitable for different modern computer architectures. The two presented C/OpenMP/MPI programs for real- and imaginary-time propagation are optimized and accompanied by a customizable makefile. We present typical scalability results for the provided OpenMP/MPI codes and demonstrate almost linear speedup until inter-process communication time starts to dominate over calculation time per iteration. Such a scalability study is necessary for large grid sizes in order to determine optimal number of MPI nodes and OpenMP threads per node.
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References in zbMATH (referenced in 4 articles , 1 standard article )
Showing results 1 to 4 of 4.
- Xu, Xiao: OpenMP parallel implementation of stiffly stable time-stepping projection/GMRES(ILU(0)) implicit simulation of incompressible fluid flows on shared-memory, multicore architecture (2019)
- Kuang, Yang; Hu, Guanghui: An adaptive FEM with ITP approach for steady Schrödinger equation (2018)
- Henning, Patrick; Peterseim, Daniel: Crank-Nicolson Galerkin approximations to nonlinear Schrödinger equations with rough potentials (2017)
- Satarić, Bogdan; Slavnić, Vladimir; Belić, Aleksandar; Balaž, Antun; Muruganandam, Paulsamy; Adhikari, Sadhan K.: Hybrid OpenMP/MPI programs for solving the time-dependent Gross-Pitaevskii equation in a fully anisotropic trap (2016)