[gmx-developers] problem with fftw while compiling the CVS-version

Berk Hess hessb at mpip-mainz.mpg.de
Mon Apr 21 15:26:46 CEST 2008


fftgrid appeared twice in the Makefile.
Apparently you have one of the very few platforms that is sensitive to this.
I have fixed it.


reich at mpikg.mpg.de wrote:
> Dear Gromacs-developers,
> I tried to compile the latest CVS-version but received the attached error
> message. To I have to download a special fftw-version or do I have to
> consider anzthing special during the compilation? In case this version is
> not ready to compile could you point out one to me that is?
> Thanks
> Luther
> make[2]: Entering directory
> `/cluster/src/gromacs/3.3.3-cvs/mpich2/gcc/src/mdlib'
> /bin/sh ../../libtool --tag=CC --mode=link mpicc  -O3 -fomit-frame-pointer
> -finline-functions -Wall -Wno-unused -funroll-all-loops   -o libmd_mpi.la
> -rpath /cluster/gromacs/3.3.3-cvs/mpich2/gcc/lib -version-info 4:0:0
> calcmu.lo calcvir.lo constr.lo coupling.lo domdec.lo domdec_con.lo
> domdec_setup.lo domdec_top.lo ebin.lo edsam.lo ewald.lo fftgrid.lo
> force.lo ghat.lo init.lo mdatom.lo mdebin.lo minimize.lo mvxvf.lo ns.lo
> nsgrid.lo perf_est.lo pme.lo pme_pp.lo pppm.lo fftgrid.lo partdec.lo
> pull.lo pullutil.lo rf_util.lo shakef.lo sim_util.lo shellfc.lo stat.lo
> tables.lo tgroup.lo update.lo vcm.lo vsite.lo wall.lo wnblist.lo
> csettle.lo clincs.lo qmmm.lo gmx_fft.lo gmx_parallel_3dfft.lo
> gmx_wallcycle.lo qm_gaussian.lo gmx_fft_fftw3.lo     -lxml2  -L/usr/lib64
> -lnsl -lfftw3f -lm   -lSM -lICE -lX11
> mpicc -shared  .libs/calcmu.o .libs/calcvir.o .libs/constr.o
> ..libs/coupling.o .libs/domdec.o .libs/domdec_con.o .libs/domdec_setup.o
> ..libs/domdec_top.o .libs/ebin.o .libs/edsam.o .libs/ewald.o
> ..libs/fftgrid.o .libs/force.o .libs/ghat.o .libs/init.o .libs/mdatom.o
> ..libs/mdebin.o .libs/minimize.o .libs/mvxvf.o .libs/ns.o .libs/nsgrid.o
> ..libs/perf_est.o .libs/pme.o .libs/pme_pp.o .libs/pppm.o .libs/fftgrid.o
> ..libs/partdec.o .libs/pull.o .libs/pullutil.o .libs/rf_util.o
> ..libs/shakef.o .libs/sim_util.o .libs/shellfc.o .libs/stat.o
> ..libs/tables.o .libs/tgroup.o .libs/update.o .libs/vcm.o .libs/vsite.o
> ..libs/wall.o .libs/wnblist.o .libs/csettle.o .libs/clincs.o .libs/qmmm.o
> ..libs/gmx_fft.o .libs/gmx_parallel_3dfft.o .libs/gmx_wallcycle.o
> ..libs/qm_gaussian.o .libs/gmx_fft_fftw3.o  -Wl,--rpath
> -Wl,/cluster/fftw/3.1.2/gcc/lib -Wl,--rpath
> -Wl,/cluster/fftw/3.1.2/gcc/lib -lxml2 -L/usr/lib64 -lnsl
> /cluster/fftw/3.1.2/gcc/lib/libfftw3f.so -lm -lSM -lICE -lX11  -Wl,-soname
> -Wl,libmd_mpi.so.4 -o .libs/libmd_mpi.so.4.0.0
> ..libs/fftgrid.o: In function `clear_fftgrid':
> fftgrid.c:(.text+0x0): multiple definition of `clear_fftgrid'
> ..libs/fftgrid.o:fftgrid.c:(.text+0x0): first defined here
> ..libs/fftgrid.o: In function `unpack_fftgrid':
> fftgrid.c:(.text+0x100): multiple definition of `unpack_fftgrid'
> ..libs/fftgrid.o:fftgrid.c:(.text+0x100): first defined here
> ..libs/fftgrid.o: In function `clear_rgrid':
> fftgrid.c:(.text+0x170): multiple definition of `clear_rgrid'
> ..libs/fftgrid.o:fftgrid.c:(.text+0x170): first defined here
> ..libs/fftgrid.o: In function `clear_cgrid':
> fftgrid.c:(.text+0x2d0): multiple definition of `clear_cgrid'
> ..libs/fftgrid.o:fftgrid.c:(.text+0x2d0): first defined here
> ..libs/fftgrid.o: In function `print_cgrid':
> fftgrid.c:(.text+0x400): multiple definition of `print_cgrid'
> ..libs/fftgrid.o:fftgrid.c:(.text+0x400): first defined here
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