Am 21. Oktober 2011 14:27 schrieb Marc Segovia <marcsego...@gmail.com>: > Hi all > > Executing the following command to install Votca > sudo ./build.sh -DEXTERNAL_BOOST=OFF -DWITH_SQLITE3=OFF > -DTXT2TAGS_EXECUTABLE="" gromacs tools csg > > installation is pretty perfect , but a problem with gromacs arise when > try to use csg_map. > seems that download and installation from gromacs site brings 4.5.5 > version and votca is compiled to 4.5.3. > As this way to install gromacs is easy and soft than usual, someone > could give a tip how to compile 4.5.3 through votca ? > I source .bash files as usual. > > Best regards > Marc
Can you post the output of: $ grep ^GROMACS csg/CMakeCache.txt and check whether GROMACS_LIBRARY is right? Can you also post the contain of gmx_libs_version.h $ cat src/libcsg/gmx_libs_version.h Cheers, Christoph > > csg_map --top topol.tpr --trj confout.gro --cg hexane.xml --out conf_cg.gro > WARNING: VOTCA was compiled using a different Gromacs library version > compiled: VERSION 4.5.3 (single precision) > loaded:VERSION 4.5.5 (single precision) > Try to source another GMXRC or be prepared for unexpectred behaviour. > Reading file topol.tpr, VERSION 4.5.5 (single precision) > I have 20000 beads in 1000 molecules > I have 3000 beads in 1000 molecules for the coarsegraining > WARNING: VOTCA was compiled using a different Gromacs library version > compiled: VERSION 4.5.3 (single precision) > loaded:VERSION 4.5.5 (single precision) > Try to source another GMXRC or be prepared for unexpectred behaviour. > > ------------------------------------------------------- > Program VOTCA, VERSION 4.5.5 > Source code file: /home/marc/votca/src/gromacs/src/gmxlib/futil.c, line: 491 > > File input/output error: > confout.gro > For more information and tips for troubleshooting, please check the GROMACS > website at http://www.gromacs.org/Documentation/Errors > > -- > 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. > > -- Christoph Junghans Votca Core Developer Web: http://www.votca.org -- 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.
