
arXiv: 1901.01047
handle: 20.500.11850/374990
We present the first open release of the DCA++ project, a high-performance research software framework to solve quantum many-body problems with cutting edge quantum cluster algorithms. DCA++ implements the dynamical cluster approximation (DCA) and its DCA$^+$ extension with a continuous self-energy. The algorithms capture nonlocal correlations in strongly correlated electron systems, thereby giving insight into high-$T_c$ superconductivity. The code's scalability allows efficient usage of systems at all scales, from workstations to leadership computers. With regard to the increasing heterogeneity of modern computing machines, DCA++ provides portable performance on conventional and emerging new architectures, such as hybrid CPU-GPU, sustaining multiple petaflops on ORNL's Titan and CSCS' Piz Daint supercomputers. Moreover, we show how sustainable and scalable development of the code base has been achieved by adopting standard techniques of the software industry. These include employing a distributed version control system, applying test-driven development and following continuous integration.
32 pages, 17 figures, 1 table, 3 code listings; submitted to Comput. Phys. Commun
Strongly Correlated Electrons (cond-mat.str-el), FOS: Physical sciences, Strongly correlated electron systems, Dynamical cluster approximation, Computational Physics (physics.comp-ph), Condensed Matter - Strongly Correlated Electrons, Quantum cluster algorithms, Continuous-time quantum Monte Carlo, Extreme-scale computing, Sustainable software development, Physics - Computational Physics, Strongly correlated electron systems; Quantum cluster algorithms; Dynamical cluster approximation; Continuous-time quantum Monte Carlo; Extreme-scale computing; Sustainable software development
Strongly Correlated Electrons (cond-mat.str-el), FOS: Physical sciences, Strongly correlated electron systems, Dynamical cluster approximation, Computational Physics (physics.comp-ph), Condensed Matter - Strongly Correlated Electrons, Quantum cluster algorithms, Continuous-time quantum Monte Carlo, Extreme-scale computing, Sustainable software development, Physics - Computational Physics, Strongly correlated electron systems; Quantum cluster algorithms; Dynamical cluster approximation; Continuous-time quantum Monte Carlo; Extreme-scale computing; Sustainable software development
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