[gmx-users] Re: Install gromacs4.6.3 with mpi

[Qin Qiao]

On Sat, Sep 7, 2013 at 4:55 PM, Qin Qiao <qiaoqin47 at gmail.com> wrote:

> Dear all,
>
> I'm trying to install gromacs4.6.3 with mvapich2-1.9a on a local cluster
> and got the following error in step 'make':
>
> "/usr/bin/ld:
> /usr/local/mvapich2-1.9a-gcc/lib/libmpich.a(mvapich_malloc.o): relocation
> R_X86_64_32 against `.bss' can not be used when making a shared object;
> recompile with -fPIC
> /usr/local/mvapich2-1.9a-gcc/lib/libmpich.a: could not read symbols: Bad
> value
> "
>
> I was using command
> "cmake ..  -DCMAKE_INSTALL_PREFIX=/.../gromacs-4.6.3/
> -DGMX_BUILD_OWN_FFTW=ON -BUILD_SHARED_LIBS='no'
>
Also with flag -DGMX_MPI=ON, sorry

> "
> and I thought the mvapich is compiled with --enable-shared...
>
> Could you give me some advice if possible? Thanks in advance.
>
> Best
> Qin
>