nvalchemi Distributed (Domain Decomposition)

Overview

Domain decomposition (DD) splits one atomic system across several GPUs so a simulation that doesn't fit — or doesn't run fast enough — on a single card can scale out. The same model wrapper, hooks, and integrators you use single-process run unchanged; you add one wrapper around each.

• {class}~nvalchemi.distributed.DomainParallel wraps any {class}~nvalchemi.dynamics.base.BaseDynamics integrator/optimizer and drives it across the mesh.
• Under the hood it wraps the model in a DistributedModel, which reads the model's distribution_spec to know how to shard/gather each field.