Hi Christoph, I tried your suggestion, but it doesn't work. I get this error: "relocation R_X86_64_32 against `.rodata' can not be used when making a shared object; recompile with -fPIC".
I tried a fresh install of the normal gromacs compiled as static, and tried recompiling votca against it and finally I get this error: -- package 'libgmx_d' not found -- Could NOT find GMX_D (missing: GMX_D_LIBRARY GMX_D_INCLUDE_DIR) CMake Warning at src/libcsg/CMakeLists.txt:41 (message): gromacs-4.5 double precision not found failback to single precision -- checking for module 'libgmx' -- package 'libgmx' not found -- Could NOT find GMX (missing: GMX_LIBRARY GMX_INCLUDE_DIR) CMake Error at src/libcsg/CMakeLists.txt:44 (message): gromacs-4.5 (single or double) not found, make sure you have installed the gromacs-4.5 and it's dev package. If the gromacs module was not found above, make sure you have sourced GMXRC or set PKG_CONFIG_PATH yourself. gromacs support can be disable it with -DWITH_GMX=OFF. If you have gromacs-5.0 installed enable to build against it with -DWITH_GMX_DEVEL=ON -- Configuring incomplete, errors occurred! According to Valentina's link: echo $PKG_CONFIG_PATH produces: /usr/local/gromacs/lib/pkgconfig which I believe is correct. Any other ideas? Kind regards, Patrick On Tue, Oct 11, 2011 at 1:23 PM, Patrick Kiley <pjki...@gmail.com> wrote: > Hi Valentina, > > Thanks for the link, but unfortunately, I get zero errors during > compilation, so I think this case is a little different from yours, but > someone please correct me if I am wrong. > > Patrick > > > On Tue, Oct 11, 2011 at 1:12 PM, Valentina <valentina_erast...@yahoo.co.uk > > wrote: > >> Oh, sorry, I read topol.tpr at the beginning. >> >> I had a similar problem before. This may be useful? >> http://groups.google.com/group/votca/browse_thread/thread/d24203fb92647bb9 >> >> Valentina >> >> >> On Oct 11, 12:52 pm, Patrick Kiley <pjki...@gmail.com> wrote: >> > I seem to remember that there used to be a --conf-opts option for >> build.sh >> > that enabled me to build static libs. Does this still exist? I just >> tried >> > using it, but it doesn't seem to be recognized. >> > >> > Patrick >> > >> > >> > >> > >> > >> > >> > >> > On Tue, Oct 11, 2011 at 12:48 PM, Patrick Kiley <pjki...@gmail.com> >> wrote: >> > > Dear all, >> > >> > > Sorry, that was a mistake on my part. I am actually using the .tpr >> files. >> > > The command was: >> > > csg_boltzmann --top topol.tpr --cg map5-gly-pro-pro.xml --excl --trj >> > > traj.trr >> > >> > > sorry for the confusion. >> > >> > > Patrick >> > >> > > On Tue, Oct 11, 2011 at 12:40 PM, Sebastian Fritsch < >> > > frit...@mpip-mainz.mpg.de> wrote: >> > >> > >> Hello Patrick, >> > >> > >> you need to use the topol.tpr which is the binary form of the >> topol.top. >> > >> To get the .tpr you have to run the gromacs preprocessor (grompp). >> > >> > >> -Sebastian >> > >> > Dear all, >> > >> > >> > I have recently recompiled GROMACS on my machine, and therefore >> have >> > >> > needed to recompile VOTCA. >> > >> > >> > Here is how I did it: >> > >> > 1) source gromacs >> > >> > 2) sudo ./build.sh -R -dcu --release 1.2.1 --prefix=/home/votca/ >> > >> > tools csg >> > >> > >> > This finishes with no errors, so I thought everything should be OK. >> > >> > However, when I run this command: >> > >> > csg_boltzmann --top topol.top --cg map.xml --excl --trj traj.trr >> > >> > >> > I get this error: >> > >> > an error occurred: >> > >> > input format not supported: topol.top >> > >> > >> > To me this means I have somehow compiled without GMX support, but >> how >> > >> > could this be and how can I fix it? One other thing, I have >> compiled >> > >> > gromacs with static libs, so maybe I need to tell the build script >> > >> > this explicitly? >> > >> > >> > Thanks for any help you can give, >> > >> > >> > Patrick Kiley >> > >> > >> -- >> > >> You received this message because you are subscribed to the Google >> Groups >> > >> "votca" group. >> > >> To post to this group, send email to votca@googlegroups.com. >> > >> To unsubscribe from this group, send email to >> > >> votca+unsubscr...@googlegroups.com. >> > >> For more options, visit this group at >> > >>http://groups.google.com/group/votca?hl=en. >> >> -- >> You received this message because you are subscribed to the Google Groups >> "votca" group. >> To post to this group, send email to votca@googlegroups.com. >> To unsubscribe from this group, send email to >> votca+unsubscr...@googlegroups.com. >> For more options, visit this group at >> http://groups.google.com/group/votca?hl=en. >> >> > -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to votca@googlegroups.com. To unsubscribe from this group, send email to votca+unsubscr...@googlegroups.com. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
