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 <[email protected]> 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 <[email protected]> > 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 < > [email protected]> > > 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. > > > -- > > > 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 [email protected]. > > > > > -- > > 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 [email protected]. > > > -- > 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 [email protected]. > -- 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 [email protected].
