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Bonaccorso, Fabio; Lauricella, Marco; Montessori, Andrea; Amati, Giorgio; Bernaschi, Massimo; Spiga, Filippo; Tiribocchi, Adriano; Succi, Sauro
Computer physics communications, August 2022, 2022-08-00, Letnik: 277Journal Article
We present LBcuda, a GPU accelerated version of LBsoft, our open-source MPI-based software for the simulation of multi-component colloidal flows. We describe the design principles, the optimization and the resulting performance as compared to the CPU version, using both an average cost GPU and high-end NVidia GPU cards (V100 and the latest A100). The results show a substantial acceleration for the fluid solver reaching up to 200 GLUPS (Giga Lattice Updates Per Second) on a cluster made of 512 A100 NVIDIA cards simulating a grid of eight billion lattice points. These results open attractive prospects for the computational design of new materials based on colloidal particles. Program Title: LBcuda CPC Library link to program files:https://doi.org/10.17632/v6fvmzpcrn.1 Developer's repository link:https://github.com/copmat/LBcuda Licensing provisions: 3-Clause BSD License Programming language: CUDA Fortran Nature of problem: Hydro-dynamics of colloidal multi-component systems and Pickering emulsions. Solution method: Lattice-Boltzmann method solving the Navier-Stokes equations for the fluid dynamics within an Eulerian description. Particle solver describing colloidal particles within a Lagrangian representation coupled to the fluid solver. The numerical solution of the coupling algorithm includes the back reaction effects for each force terms according to a fluid-particle multi-scale paradigm.
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