Public development project of the LAMMPS MD software package
Role in this project:
Back-end Developer Contributions:19 reviews, 28 commits, 11 PRs in 2 years 7 months
Contributions summary:Evan contributed significantly to the performance optimization of the LAMMPS molecular dynamics software, specifically focusing on the SNAP (Spectral Neighbor Analysis Potential) pair style. The commits involve refactoring and optimizing the core routines, particularly those utilizing the Kokkos library for GPU acceleration. These optimizations include code improvements for kernel fusion, reducing memory usage on the GPU, and improving the efficiency of the calculations within the SNAP kernels.
lammpsmolecular-dynamicssimulationkokkos
Contributions:8 pushes in 5 years