Public development project of the LAMMPS MD software package
Role in this project:
Back-end Developer Contributions:118 commits, 4 PRs, 8 comments in 3 months
Contributions summary:Dan is actively involved in porting the LAMMPS molecular dynamics software package to utilize Kokkos, a performance portability library. Their contributions center around implementing Kokkos-enabled versions of various fix and related methods, specifically focusing on the `fix_momentum` module and `pair_dpd_fdt_energy` modules. The user is adapting and refactoring existing code to leverage Kokkos's parallel programming constructs, enabling potential performance improvements on diverse hardware architectures, and adding a `pair_table_rx_kokkos` to replace old code.
lammpsmolecular-dynamicssimulationkokkos
Contributions:59 commits in 1 month