[gmx-users] parallel install gromacs-4.0.4

[Mark Abraham]

Hongyan Xiao wrote:
> Dear gmx-users,
>  
> When I parallel install gromacs-4.0.4. I encountered the problem. The 
> following is my installation steps.
>  
> Step 1: install fftw-3.1.2
>           # cd fftw-3.1.2
>           # ./configure --enable-float --enable-mpi -enable-threads
>           # make
>           # make install
> Step 2: install gromacs-4.0.4
>            # cd gromacs-4.0.4
>            #./configure  --enable-mpi --with-fftw3 --program-suffix=_mpi 
> --enable-shared   --enable-sse
>            # make
> then I encountered the following errors:
> mpicc -shared  .libs/calcmu.o .libs/calcvir.o .libs/constr.o 
> .libs/coupling.o .libs/domdec.o .libs/domdec_con.o 
> .libs/domdec_network.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/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,/usr/local/gromacs-4.0.4/src/gmxlib/.libs -Wl,--rpath 
> -Wl,/usr/local/gromacs/lib ../gmxlib/.libs/libgmx_mpi.so -L/usr/lib64 
> -lxml2 -lnsl -lfftw3f -lSM -lICE -lX11  -Wl,-soname -Wl,libmd_mpi.so.5 
> -o .libs/libmd_mpi.so.5.0.0
> ld: /usr/local/lib/libfftw3f.a(mapflags.o): relocation R_X86_64_32S 
> against `a local symbol' can not be used when making a shared object; 
> recompile with -fPIC

<snip>

> How to solve these problem?  Hope for your help. Thank you very much!

Start by not trying to make shared objects?

Mark