[gmx-users] MPICH2 error

[Souparno Adhikary]

Okay, it worked. After I put on -DCMAKE_C_COMPILER and -DCMAKE_CXX_COMPILER
in my configuration options. Thanks.

Souparno Adhikary,
CHPC Lab,
Department of Microbiology,
University of Calcutta.

On Mon, Aug 21, 2017 at 5:04 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> Your previous report didn't use eg CMAKE_CXX_COMPILER=mpic++ etc
>
> This should set up the linking. Anyway, if you build the shared version and
> don't build the static version of mpich nothing can go wrong. But there's
> nothing for gromacs to do about it...
>
> Mark
>
> On Mon, 21 Aug 2017 13:10 Souparno Adhikary <souparnoa91 at gmail.com> wrote:
>
> > I am using MPI compilers to do the thing. I reinstalled MPICH2 using the
> > options and it looks the same. Sorry...
> >
> > Souparno Adhikary,
> > CHPC Lab,
> > Department of Microbiology,
> > University of Calcutta.
> >
> > On Mon, Aug 21, 2017 at 4:08 PM, Mark Abraham <mark.j.abraham at gmail.com>
> > wrote:
> >
> > > Hi,
> > >
> > > Please use the MPI wrapper compilers provided by the MPI library to
> > compile
> > > programs that use that MPI library, as I suggested last time. Managing
> > this
> > > stuff is its job.
> > >
> > > Mark
> > >
> > > On Mon, Aug 21, 2017 at 12:34 PM Souparno Adhikary <
> > souparnoa91 at gmail.com>
> > > wrote:
> > >
> > > > I am posting this error again. Please help. I installed mpich2 with
> > > > CXXFLAGS='-fPIC' and --enable-shared options.
> > > >
> > > > I configured gromacs with the following command:
> > > >
> > > > /root/cmake-3.9.1-Linux-x86_64/bin/cmake .. -DGMX_BUILD_OWN_FFTW=ON
> > > > -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_MPI=ON
> > > > -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs-5.1.4
> > > >
> > > > After I ran make, I am getting the following error:
> > > >
> > > > /usr/bin/ld: /usr/local/lib/libmpich.a(allreduce.o): relocation
> > > R_X86_64_32
> > > > against `.rodata.str1.8' can not be used when making a shared object;
> > > > recompile with -fPIC
> > > > /usr/local/lib/libmpich.a: could not read symbols: Bad value
> > > > collect2: ld returned 1 exit status
> > > > make[2]: *** [lib/libgromacs_mpi.so.1.4.0] Error 1
> > > > make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2
> > > > make: *** [all] Error 2
> > > >
> > > > Can anyone please help???
> > > >
> > > > Souparno Adhikary,
> > > > CHPC Lab,
> > > > Department of Microbiology,
> > > > University of Calcutta.
> > > > --
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