sync_geometry_to_workers Subroutine

public subroutine sync_geometry_to_workers(sys_geom, comm)

Synchronize geometry coordinates from master rank to all worker ranks This is needed when master rank updates coordinates for optimization/dynamics

TODO: Implement explicit broadcast if needed. Currently, the fragmented calculation infrastructure may already handle geometry distribution. For unfragmented calculations on master rank only, this is not needed.

Arguments

Type IntentOptional Attributes Name
type(system_geometry_t), intent(inout) :: sys_geom
type(comm_t), intent(in) :: comm

Called by

proc~~sync_geometry_to_workers~~CalledByGraph proc~sync_geometry_to_workers sync_geometry_to_workers proc~compute_energy_and_forces compute_energy_and_forces proc~compute_energy_and_forces->proc~sync_geometry_to_workers

Source Code

   subroutine sync_geometry_to_workers(sys_geom, comm)
      !! Synchronize geometry coordinates from master rank to all worker ranks
      !! This is needed when master rank updates coordinates for optimization/dynamics
      !!
      !! TODO: Implement explicit broadcast if needed. Currently, the fragmented
      !! calculation infrastructure may already handle geometry distribution.
      !! For unfragmented calculations on master rank only, this is not needed.
      type(system_geometry_t), intent(inout) :: sys_geom
      type(comm_t), intent(in) :: comm

      ! NOTE: For now, we rely on the existing calculation infrastructure
      ! to handle geometry as needed. If explicit broadcasting is required,
      ! we can add MPI send/recv logic here later.

   end subroutine sync_geometry_to_workers