<div class="gmail_quote"><b class="gmail_sendername"></b>Hi,<br><br>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:-<br>
mv -f .deps/xlate.Tpo .deps/xlate.Plo<br>/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 <a href="http://libgmxpreprocess_mpi.la" target="_blank">libgmxpreprocess_mpi.la</a> -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/<a href="http://libmd_mpi.la" target="_blank">libmd_mpi.la</a> -lnsl -lm  <br>

libtool: link: cannot find the library `../mdlib/<a href="http://libmd_mpi.la" target="_blank">libmd_mpi.la</a>&#39; or unhandled argument `../mdlib/<a href="http://libmd_mpi.la" target="_blank">libmd_mpi.la</a>&#39;<br>
make[1]: *** [<a href="http://libgmxpreprocess_mpi.la" target="_blank">libgmxpreprocess_mpi.la</a>] Error 1<br>
make[1]: Leaving directory `/usr/local/gromacs-4.5.5/src/kernel&#39;<br><br>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 ??<span class="HOEnZb"><font color="#888888"><br>

<br clear="all"><br>-- <br>Bharat<br><br>
</font></span></div><br><br clear="all"><br><br>