MACE-LAMMPS-compute-stress/atom-issue

[ma80mk]

Hello everybody,
I used macev0.3.16 to fine tune the foundation model mace-mh-1 and used the model for an MD simulation with LAMMPS with ML-IAP setup. My LAMMPS version and setup are as:

LAMMPS (30 Mar 2026 - Development - patch_30Mar2026-1074-g7f680de296-modified)
KOKKOS mode with Kokkos version 5.1.99 is enabled
  using double precision
  using view layout = legacy
  will use up to 1 GPU(s) per node
  using 1 OpenMP thread(s) per MPI task
package kokkos
package kokkos newton on neigh half comm host 

When I want to calculate the stress/atom or set fix move or fix ave/atom, the LAMMPS gives these warning and then the job is terminated. The warning are as:

WARNING: Fix ave/atom not compatible with sending data in Kokkos communication (src/KOKKOS/comm_kokkos.cpp:934)
WARNING: Fix with atom-based arrays not compatible with sending data in Kokkos communication, switching to legacy exchange/border communication (src/KOKKOS/comm_kokkos.cpp:941)
WARNING:Fix move not compatible with sending data in Kokkos communication (src/KOKKOS/comm_kokkos.cpp:934)

I called the LAMMPS community and they claimed that the error relates to the MACE output see (https://matsci.org/t/lammps-kokkos-fix-move-ave-atom-stress-atom-issues/67432). I removed all commands related to fix move and fix ave/atom but saved the compute stress/atom ones in my LAMMPS input file and computed the sanitizer by "compute-sanitizer" . The result file was attached.
Therefor, I am reaching you to ask whether you know what the problem is and how I can solve it.
sanitizer_output.txt