[DFTB-Plus-User] problem compiling the MPI version on Apple Silicon

[Peter Klaver]

Hello people,

I’ve just started using DFTB+. I’ve compiled the serial version without any problem, but compiling the MPI version is giving me trouble.

With gcc-13 and mpich from MacPorts I can’t complete the link stage because installing mpich does not install the file mpi_f08.mod, which is required.

Wirth gcc and openmpi from HomeBrew I can get an executable, but when I run it, I get the error

No components were able to be opened in the pml framework.

Internet searching about that error did not tell me what I need to fix there.

Running the HomeBrew-compiled binary with mpirun from Macports/mpich (not recommended, I know) gives the same pml framework error.

Has anyone gotten the MPI version running on an Apple Silicon Mac? If so, what did you use (MacPorts vs Hombrew or something else still, mpich vs. openmpi or something else still) and what shell variables did you set for dynamically linked libraries, include path, etc?

Kind regards,
Peter
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