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A domain-specific language and matrix-free stencil code for investigating electronic properties of Dirac and topological materials
- We introduce PVSC-DTM (Parallel Vectorized Stencil Code for Dirac and Topological Materials), a library and code generator based on a domain-specific language tailored to implement the specific stencil-like algorithms that can describe Dirac and topological materials such as graphene and topological insulators in a matrix-free way. The generated hybrid-parallel (MPI+OpenMP) code is fully vectorized using Single Instruction Multiple Data (SIMD) extensions. It is significantly faster than matrix-based approaches on the node level and performs in accordance with the roofline model. We demonstrate the chip-level performance and distributed-memory scalability of basic building blocks such as sparse matrix-(multiple-) vector multiplication on modern multicore CPUs. As an application example, we use the PVSC-DTM scheme to (i) explore the scattering of a Dirac wave on an array of gate-defined quantum dots, to (ii) calculate a bunch of interior eigenvalues for strong topological insulators, and to (iii) discuss the photoemission spectra of a disordered Weyl semimetal.
Author: | Andreas Pieper, Georg Hager, Holger Fehske |
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URN: | urn:nbn:de:gbv:9-opus-42249 |
DOI: | https://doi.org/10.1177/1094342020959423 |
ISSN: | 1094-3420 |
ISSN: | 1741-2846 |
Parent Title (English): | The International Journal of High Performance Computing Applications |
Publisher: | SAGE Publications |
Place of publication: | Sage UK: London, England |
Editor: | Roman Wyrzykowski, Ewa Deelman |
Document Type: | Article |
Language: | English |
Date of first Publication: | 2021/01/01 |
Release Date: | 2021/02/10 |
Tag: | Stencil code; domain-specific language; topological quantum matter |
GND Keyword: | - |
Volume: | 35 |
Issue: | 1 |
First Page: | 60 |
Last Page: | 77 |
Faculties: | Mathematisch-Naturwissenschaftliche Fakultät |
Licence (German): | Urheberrechtlich geschützt |