Journal: Computer Physics Communications
Publication date: 11 November 2022
DOI: 10.1016/j.cpc.2022.108591
Access type: Paid (Elsevier)
Link: http://dx.doi.org/10.1016/j.cpc.2022.108591
Abstract
In this paper, the implementation of a molecular diffusion model named Dynamic Lattice Liquid (DLL) is discussed. Two algorithms, sequential and parallel, implementing this model are examined. The presented theoretical considerations indicate some limitations of the sequential approach. The proposed parallel algorithm overcomes these limitations, but it requires dedicated hardware. An example of such hardware, the FPGA-based HPC system named ARUZ, is presented.