Public development project of the LAMMPS MD software package
Role in this project:
Back-end Developer Contributions:1 review, 51 commits, 15 PRs in 2 years 10 months
Contributions summary:Vsevolod implemented and optimized GPU-accelerated pair styles within the LAMMPS MD software package. They focused on the development of the lj/cut/tip4p/long/gpu pair style, including its source code, Makefiles, and installation procedures. The user added new kernels to enhance the functionality and performance of existing kernels. The contributions include code optimizations to reduce unnecessary data exchanges and fix the calculation to handle corner cases.
lammpsmolecular-dynamicssimulationkokkos
Public development project of the LAMMPS MD software package
Contributions:1 release, 47 commits, 120 pushes in 1 year 4 months
lammps