Hi, I am trying to enable mpi fro mdrun in an already installed gromacs-4.5.5. But while executing the command make mdrun , I am getting the following errorn:- mv -f .deps/xlate.Tpo .deps/xlate.Plo /bin/sh ../../libtool --tag=CC --mode=link mpicc -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -msse2 -funroll-all-loops -std=gnu99 -fexcess-precision=fast -no-undefined -version-info 6:0:0 -o libgmxpreprocess_mpi.la -rpath /usr/local/gromacs/lib add_par.lo compute_io.lo convparm.lo fflibutil.lo gen_ad.lo gen_vsite.lo genhydro.lo gpp_atomtype.lo gpp_bond_atomtype.lo h_db.lo hackblock.lo hizzie.lo pdb2top.lo pgutil.lo readir.lo readpull.lo resall.lo sorting.lo specbond.lo ter_db.lo tomorse.lo topdirs.lo topexcl.lo topio.lo toppush.lo topshake.lo toputil.lo tpbcmp.lo vsite_parm.lo xlate.lo ../mdlib/libmd_mpi.la -lnsl -lm libtool: link: cannot find the library `../mdlib/libmd_mpi.la' or unhandled argument `../mdlib/libmd_mpi.la' make[1]: *** [libgmxpreprocess_mpi.la] Error 1 make[1]: Leaving directory `/usr/local/gromacs-4.5.5/src/kernel'
I used this command to configure , before issuing make mdrun : ./configure --enable-mpi --program-suffix=_mpi --with-fft=fftw3. Also I have mpich2 installed in my system. So, what could be reason for this error ?? -- Bharat
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