While attempting to run siesta-4.1-b3 using MPICH3 (3.1.4) with intel mkl 2018 libmkl_blacs_mpich I received the following error:
[Jesses-iMac-2:98886] *** An error occurred in MPI_Comm_rank
[Jesses-iMac-2:98886] *** reported by process [128122881,206158430208]
[Jesses-iMac-2:98886] *** on communicator MPI_COMM_WORLD
[Jesses-iMac-2:98886] *** MPI_ERR_COMM: invalid communicator
[Jesses-iMac-2:98886] *** MPI_ERRORS_ARE_FATAL (processes in this communicator will now abort,
[Jesses-iMac-2:98886] *** and potentially your MPI job)
I believe this to be an error with the mpi.h. Is MPICH3 supported or do I need to install MPICH2 (1.5-rc3, latest version I'm aware of for MPICH2)? My operating system is high Sierra OSX.