[gmx-users] Compilation issue with F77_FUNC functions?

[Michael Shirts]

And FWIW, it's being compiled on CentOS 6.4.

On Sun, Dec 8, 2013 at 11:16 PM, Michael Shirts <mrshirts at gmail.com> wrote:
> 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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