GPU (KOKKOS) is not live. Every job on QuickMDSim today
runs the CPU LAMMPS image
(stable_22Jul2025_update5, MPI + OpenMP, 1 / 2 / 4 cores).
Cloudflare Containers have no GPU.
A paid GPU path is in development. It will use a separate
CUDA + KOKKOS image on an external fleet (not Cloudflare), behind a
feature flag. Until that flag is on for your account, the app shows a
locked GPU control and the API rejects accelerator=gpu.
What is live
- CPU LAMMPS 22 Jul 2025 with MOLECULE, COLLOID, KSPACE, MANYBODY, DIPOLE
- 1 core for everyone; 2 / 4 cores on paid plans
- Credits = wall seconds × requested cores
What is not live
- No CUDA, no
-k on, no-sf kk - No classic LAMMPS
GPUpackage - No ReaxFF / MEAM / ML potentials (those are a separate compile question)
Do not add /kk suffixes or package gpu to an
input expecting it to accelerate here. Those styles are not in the CPU
image.
When it ships
GPU will be paid-only, flag-gated, and billed as a credit multiplier (same CPU-hour wallet — GPU spends credits faster). Supported pair styles will be allowlisted. This page will say so when that is true.
Public page: Citing LAMMPS. Runtime truth: the CPU runner is the only runner.