Paper Info
Title
DCA++: A software framework to solve correlated electron problems with modern quantum cluster methods
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-Tc 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.
Year
DOI
Venue
2020
10.1016/j.cpc.2019.01.006
Computer Physics Communications
Keywords
Field
DocType
Strongly correlated electron systems,Quantum cluster algorithms,Dynamical cluster approximation,Continuous-time quantum Monte Carlo,Extreme-scale computing,Sustainable software development
Quantum,Mathematical optimization,CUDA,Parallel computing,Workstation,Software,Strongly correlated material,Mathematics,Software framework,Electron,Scalability
Journal
Volume
ISSN
Citations 
246
0010-4655
0
PageRank 
References 
Authors
0.34
4
8
Name
Order
Citations
PageRank
Urs R. Hähner110.71
G. Alvarez2103.14
thomas maier361.74
Raffaele Solcà4353.74
Peter Staar540.90
Michael S. Summers691.92
Thomas C. Schulthess710615.16
Thomas C. Schulthess810615.16