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@robertodr robertodr commented Aug 17, 2022

  • Compile VAMPyR with MPI enabled. The CMake flag is -DVAMPYR_WITH_MPI=ON
  • Allow to pass MPI communicator from Python to C++ I have used the technique shown here with pybind11 type casters.
  • Bind MPI functions in MRCPP
  • Add a test of MPI communication of trees
  • Expand CI to test with and without MPI enabled

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