And FWIW, it's being compiled on CentOS 6.4. On Sun, Dec 8, 2013 at 11:16 PM, Michael Shirts <mrshi...@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 <rol...@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 <mrshi...@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? >>> -- >>> Gromacs Users mailing list >>> >>> * Please search the archive at >>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before >>> posting! >>> >>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >>> >>> * For (un)subscribe requests visit >>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or >>> send a mail to gmx-users-requ...@gromacs.org. >>> >>> >>> >>> >>> >> >> >> -- >> ORNL/UT Center for Molecular Biophysics cmb.ornl.gov >> 865-241-1537, ORNL PO BOX 2008 MS6309 >> -- >> Gromacs Users mailing list >> >> * Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! >> >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >> * For (un)subscribe requests visit >> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a >> mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list
* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.