[gmx-users] Error with MPICH

[Souparno Adhikary]

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.