[gmx-users] Error with MPICH

[Souparno Adhikary]

My CMAKE was like this:

/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

I have compiled mpich2 with --enable-shared option.

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

On Fri, Aug 18, 2017 at 6:01 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> If libmpich.so is available after building with --enabled-shared, then the
> MPI wrapper compilers should take care of this. If you want more help, we
> need to at least see how you called cmake, using mpicc and mpic++, and more
> information about what was wrong than "it still doesn't work." :-)
>
> Mark
>
> On Fri, Aug 18, 2017 at 12:02 PM Souparno Adhikary <souparnoa91 at gmail.com>
> wrote:
>
> > Hi,
> >
> > I was installing GROMACS-5.1.4 with MPI option in the server. It yielded
> > the following error,
> >
> > [  6%] Linking CXX shared library ../../lib/libgromacs_mpi.so
> > /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
> >
> > As the available suggestions on the internet suggested, I recompiled the
> > mpich with --enable-shared option and also setting the CXXFLAGS as -fPIC.
> > It still doesn't work.
> >
> > Can you please help?
> >
> > Souparno Adhikary,
> > CHPC Lab,
> > Department of Microbiology,
> > University of Calcutta.
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-request at gromacs.org.
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>