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Notes from a cloud LAMMPS runner
Methods and dumps from jobs run on QuickMDSim. CPU on Free and Basic; GPU (KOKKOS, NVIDIA L4) on Pro.
Up to 64 cores, and a clearer CPU or GPU choice
256k Lennard-Jones scales to 32 cores, then stops. PPPM at 32k atoms does not scale. The L4 wins the short-range case and ties the long-range one.
Read postCloud LAMMPS GPU: tensile fracture of notched graphene
Edge-notched graphene, Tersoff C, uniaxial tension on an NVIDIA L4 (KOKKOS). Methods, dump, and what the stress number is not.
Read postCarbon nanotube buckling on a cloud LAMMPS runner
A (10,10) Tersoff tube under end compression. Mid-span leaves the cylinder at 3.8% strain, measured from the dump.
Read postSubmit cloud LAMMPS jobs from an agent (MCP)
Authenticated MCP: token or OAuth. Same project, input, run, log loop as the browser, including GPU on Pro.
Read postLi-ion electrolyte MD on a cloud LAMMPS runner
LiPF6 in ethylene carbonate between graphite-like walls. Li+ drifts under a field; coordination stays ~3–4.
Read postCold-spray aluminum MD on a cloud LAMMPS runner
EAM aluminum, charges, fix efield, von Mises dumps. Multi-file job on one CPU core. After Mishra (2026).
Read postFaster long-range electrostatics in LAMMPS, on a cloud runner
Liang et al. (Nat. Commun. 2026) Ewald-class method accepted into LAMMPS. Illustrated with a crystal-melt dump on QuickMDSim.
Read postA cloud LAMMPS runner with GPU (KOKKOS) support
Browser workbench and job runner for LAMMPS. CPU on Free/Basic; GPU (NVIDIA L4, KOKKOS) on Pro.
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