Acceleration Variants

Just want to confirm existing accelerator variants in LAMMPS are all listed in documentation. In particular interest, does the MEAM pair style only have the KOKKOS package as a readily available accelerator?

Yes, correct.

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Can see the full list here: 5.8. Pair_style potentials — LAMMPS documentation, it also lists which accelerator style (if any) is supported.

So I have somewhat secondary questions, maybe not entirely related to LAMMPS itself. I’ve been running LAMMPS (23Jun2022) in a virtual machine (Ubuntu 20.04) through Oracle Virtualbox, but the KOKKOS package requires access to my GPU (Nvidia GTX 1050) right? Is that impossible in my virtual machine?

KOKKOS can be compiled for different backends. CUDA is one of them. But plain CPU or multi-threading are available as well.

GPU pass-through would need to be configured for VirtualBox and it may or may not work (more likely not). For your GPU, it would not be worth it.

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Ok, I will try using KOKKOS in the OpenMP mode of execution. Thanks for the answer.