CabanaMD

is a proxy application for molecular dynamics (MD) written with the CoPA Cabana Particle Toolkit. It was modified directly from ExaMiniMD.

ExaMiniMD is a proxy app and research vehicle for MD using the Kokkos performance portability library ("KokkosMD"), where Cabana is a direct extension of Kokkos.

Configure, Build, and Test instructions

Run instructions

License

CabanaMD is distributed under an open source 3-clause BSD license.