[gmx-users] Compilation issue with F77_FUNC functions?

[Michael Shirts]

And looks like the solution was to make sure that mpic++ was used as
the compiler instead of mpicc.



On Mon, Dec 9, 2013 at 5:22 AM, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> 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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