NWChem 6.6: MA fatal error: MA sizeof: invalid datatype (macOS)

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Quote:Edoapra Aug 24th 5:13 pm

Something goes wrong in the makefile structure since the Fortran compiler option that would fix your problem is missing (-fdefault-integer-8 option).

Could that be that somewhere in makefiles it is assumed that C/C++ and Fortran compilers can't be mixed from different families (Clang + Gfortran)? Although i would assume the same situation happens with NAG fortran compilers.

When I compile NWchem, the environment variables CC, CXX, F77, FC are all set and point to Clang and gfortran compilers (wrappers in Spack).


Quote:Edoapra Aug 24th 5:13 pm

make FC=gfortran

should not make a difference. I will try setting `_FC=/point/to/gfortran`...

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