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Implements PME decomposition support in mixed mode for CUDA-backend

Gaurav Garg requested to merge gg_pme_decomposition_hybrid into master
  • Adds support for PME grid Halo exchange for CUDA backend using CUDA-aware MPI.
  • Use atom displacement estimate for PME GPU halo.
  • Adds CUDA kernels for copying data from PME grid to FFT grid and back from FFT grid to PME grid.

ToDo. Following-up with separate MRs:

  • Allow PME decomposition in mixed mode. Currently program exits early if we try to enable new code path.
  • Disables DLB when PME GPU decomposition is on
  • Disables PME tuning when PME GPU decomposition is on
  • Add a dev flag to enable PME GPU decomposition

Refs #3884

Edited by Gaurav Garg

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