Hi Marc, Make sure all of paths are to correct places (ie 4.5.3) when compiling. You may need to specify this paths in ./build.sh -DGMX_INCLUDE_DIR=/usr/local/gromacs-4.5.3/include -DGMX_LIBRARY=/usr/local/gromacs-4.5.3/lib
also mb make sure it's consistent here too: export PKG_CONFIG_PATH=/ usr/local/gromacs-4.5.3/lib/pkgconfig Hope it works:) V On Oct 21, 9:27 pm, Marc Segovia <[email protected]> wrote: > 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 > > 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 athttp://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 [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
