[gmx-users] Error in Installing gromacs4.6.3 with mpi

[Qin Qiao]

On Wed, Sep 11, 2013 at 3:08 PM, Mark Abraham <mark.j.abraham at gmail.com>wrote:

> No idea if it's causing your problem, but you need all the Ds in
> -DBUILD_SHARED_LIBS=no
>
> Mark
>
> On Wed, Sep 11, 2013 at 6:15 AM, 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 ../  -DGMX_MPI=ON -DCMAKE_INSTALL_PREFIX=/.../gromacs-4.6.3/
> > -DGMX_BUILD_OWN_FFTW=ON -BUILD_SHARED_LIBS='no'
>

Thanks, Mark! I get to know -D is a must for cmake to define variables.

Best

Qin

> "

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