[gmx-users] Compilation issue with F77_FUNC functions?

[Mark Abraham]

On Mon, Dec 9, 2013 at 1:44 AM, Michael Shirts <mrshirts at gmail.com> wrote:

> So, I'm trying to compile with MPI using mpich3.  Previous
> installations worked, and installations without MPI worked. I'm
> getting errors like:
>
> /h3/n1/shirtsgroup/gromacs_46/gromacs/src/gmxlib/cinvsqrtdata.c:53:
> warning: parameter names (without types) in function declaration
>

Apparently F77_FUNC is getting #defined by someone else after config.h,
because vec.h transitively #includes the entire world, including mpi.h.
That could be proved by inspecting the preprocessed source, e.g. by hacking
the command you can get from "make VERBOSE=1". Assigning blame there would
tax Solomon. Possible fixes include trying a more recent compiler, hacking
out the #include "vec.h" (which I think is even superfluous), or getting
rid of the F77_FUNC stuff there (which is probably a relic from when some
fortran kernel needed the data).

Mark

/h3/n1/shirtsgroup/gromacs_46/gromacs/src/gmxlib/cinvsqrtdata.c:53:
> error: function ‘F77_FUNC’ is initialized like a variable
> /h3/n1/shirtsgroup/gromacs_46/gromacs/src/gmxlib/cinvsqrtdata.c:56:
> warning: braces around scalar initializer
> /h3/n1/shirtsgroup/gromacs_46/gromacs/src/gmxlib/cinvsqrtdata.c:56:
> warning: (near initialization for ‘F77_FUNC’)
> /h3/n1/shirtsgroup/gromacs_46/gromacs/src/gmxlib/cinvsqrtdata.c:57:
> error: invalid initializer
> /h3/n1/shirtsgroup/gromacs_46/gromacs/src/gmxlib/cinvsqrtdata.c:57:
> error: (near initialization for ‘F77_FUNC’)
> /h3/n1/shirtsgroup/gromacs_46/gromacs/src/gmxlib/cinvsqrtdata.c:57:
> warning: excess elements in scalar initializer
> /h3/n1/shirtsgroup/gromacs_46/gromacs/src/gmxlib/cinvsqrtdata.c:57:
> warning: (near initialization for ‘F77_FUNC’)
> /h3/n1/shirtsgroup/gromacs_46/gromacs/src/gmxlib/cinvsqrtdata.c:57:
> warning: excess elements in scalar initializer
> /h3/n1/shirtsgroup/gromacs_46/gromacs/src/gmxlib/cinvsqrtdata.c:57:
> warning: (near initialization for ‘F77_FUNC’)
>
> And it keeps on like that for a long while.
>
> Any suggestions?  Perhaps something wrong in the way mpicc is handling
> Fortran code?
> --
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