[gmx-users] MPICH2 error

[Mark Abraham]

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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