English

DCA++: A software framework to solve correlated electron problems with modern quantum cluster methods

Computational Physics 2019-10-30 v2 Strongly Correlated Electrons

Abstract

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-TcT_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.

Keywords

Cite

@article{arxiv.1901.01047,
  title  = {DCA++: A software framework to solve correlated electron problems with modern quantum cluster methods},
  author = {Urs R. Hähner and Gonzalo Alvarez and Thomas A. Maier and Raffaele Solcà and Peter Staar and Michael S. Summers and Thomas C. Schulthess},
  journal= {arXiv preprint arXiv:1901.01047},
  year   = {2019}
}

Comments

32 pages, 17 figures, 1 table, 3 code listings; submitted to Comput. Phys. Commun

R2 v1 2026-06-23T07:02:59.521Z