[gmx-users] Compilation issue with F77_FUNC functions?

[Michael Shirts]

Apologies! I certainly didn't post enough information.  mpicc is using:

gcc (GCC) 4.4.7 20120313 (Red Hat 4.4.7-3)

Which is exactly what the non-mpi versions used, which did not have
this problem.

I ran cmake with:

cmake ../gromacs -DGMX_MPI=ON -DGMX_GPU=OFF -DGMX_DOUBLE=ON
-DGMX_CPU_ACCELERATION=AVX_256
-DCMAKE_INSTALL_PREFIX=/h3/n1/shirtsgroup/gromacs_46/install
-DFFTW_INCLUDE_DIR=/h3/n1/shirtsgroup/software/fft3w/include
-DFFTW_LIBRARY='/h3/n1/shirtsgroup/software/fft3w/lib/libfftw3.a;/h3/n1/shirtsgroup/software/fft3w/lib/libfftw3.so;/usr/lib64/libm.so;/share/apps/mpich3/gnu/lib/libmpich.so;'

All the extra libraries for FFTWF appear to be necessary for some
reason, but I don't think that's it . . .

Commentinf out the line F77_FUNC int src/config.h.cmakein and
rerunning cmake did not change anything.

On Sun, Dec 8, 2013 at 10:29 PM, Roland Schulz <roland at utk.edu> wrote:
> Hi,
>
> what compiler is used by mpicc? What does "mpicc -showme" and "mpicc
> --version" show? Does it help to uncomment the line containing F77_FUNC int
> src/config.h.cmakein?
>
> Roland
>
>
> On Sun, Dec 8, 2013 at 7:44 PM, 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
>> /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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>
>
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