[gmx-developers] gromacs 4.0 with fortran

[Alexander Herz]

Hey guys,

I'm getting a lot of errors trying to compile gromacs 4.0.4 with ifort 9.1:

/bin/sh ../../libtool --tag=CC   --mode=link mpicc  -O3 -w
-funroll-all-loops  -L/lrz/sys/libraries/fftw/3.1.1/lib -lfftw3    -o
gmxcheck gmxcheck.o libgmxpreprocess_mpi.la ../mdlib/libmd_mpi.la
../gmxlib/libgmx_mpi.la  -lxml2  -L/usr/X11R6/lib -R/usr/X11R6/lib -lnsl
-lfftw3f   -lSM -lICE -lX11   -L/lrz/sys/libraries/fftw/3.1.1/lib
-lfftw3 -L/lrz/sys/intel/ifort_101_22/lib
-L/lrz/mnt/sys.ia64/gcc/3.4.4/bin/../lib/gcc/ia64-unknown-linux-gnu/3.4.4/
-L/lrz/mnt/sys.ia64/gcc/3.4.4/bin/../lib/gcc/ia64-unknown-linux-gnu/3.4.4/../../../
-L/usr/lib -lifport -lifcore -limf -lm -lipgo -lirc -lirc_s -ldl
../mdlib/.libs/libmd_mpi.a(gmx_fft_fftw3.o): In function `gmx_fft_destroy':
gmx_fft_fftw3.c:(.text+0x42): undefined reference to `fftwf_destroy_plan'
gmx_fft_fftw3.c:(.text+0x82): undefined reference to `fftwf_destroy_plan'
gmx_fft_fftw3.c:(.text+0xc2): undefined reference to `fftwf_destroy_plan'
gmx_fft_fftw3.c:(.text+0x102): undefined reference to `fftwf_destroy_plan'
gmx_fft_fftw3.c:(.text+0x142): undefined reference to `fftwf_destroy_plan'
../mdlib/.libs/libmd_mpi.a(gmx_fft_fftw3.o):gmx_fft_fftw3.c:(.text+0x182):
more undefined references to `fftwf_destroy_plan' follow
../mdlib/.libs/libmd_mpi.a(gmx_fft_fftw3.o): In function `gmx_fft_destroy':
gmx_fft_fftw3.c:(.text+0x222): undefined reference to `fftwf_free'
../mdlib/.libs/libmd_mpi.a(gmx_fft_fftw3.o): In function `gmx_fft_3d_real':
gmx_fft_fftw3.c:(.text+0x402): undefined reference to
`fftwf_execute_dft_r2c'
gmx_fft_fftw3.c:(.text+0x432): undefined reference to
`fftwf_execute_dft_c2r'
../mdlib/.libs/libmd_mpi.a(gmx_fft_fftw3.o): In function `gmx_fft_3d':
gmx_fft_fftw3.c:(.text+0x5e2): undefined reference to `fftwf_execute_dft'
../mdlib/.libs/libmd_mpi.a(gmx_fft_fftw3.o): In function `gmx_fft_2d_real':
gmx_fft_fftw3.c:(.text+0x782): undefined reference to
`fftwf_execute_dft_r2c'
gmx_fft_fftw3.c:(.text+0x7b2): undefined reference to
`fftwf_execute_dft_c2r'
../mdlib/.libs/libmd_mpi.a(gmx_fft_fftw3.o): In function `gmx_fft_2d':


Any ideas hwo to fix this?

Thx,
Alex