Dear LAMMPS Mailing list,
I am working on very low energy bombardments. To do these simulations I am using the reax/c forcefield to reproduce the interactions between silicon particles (my sample), and to sputter the sample I am using an Argon particle, that I modelize thanks to a Morse potential (Ar - Ar and Ar - Si interactions). To achieve this I am using the pair_style hybrid in my LAMMPS simulations.
Due to the length of the calculs with ReaxFF, I plan on utilizing a speed up package (KOKKOS), but the way of how neighbour lists are built when using KOKKOS make pair_style hybrid not functionning, and thus my simulations cannot work. I am using the command line -pk with the options “neigh half newton on comms no”.
I browsed the mailing list and found (in 2015) that implementing that pair_style (hybrid) was low priority for KOKKOS, and I have not found other instances of exchange where there would be notice of further developments, so I come here to ask if other users have managed to use the KOKKOS package with the pair_style hybrid (and / or the reax/c/kk and morse/kk pair_styles).
I also read that it is possible in GPU to have the neighbour lists written on the CPU, allowing to use pair_style hybrid with the GPU acceleration package. Is this possible with KOKKOS ?
Any help will be greatly appreciated,
Thank you in advance
Grégoire
