2015-08-12 10:25 GMT-06:00 Chang Woon Jang <[email protected]>: > Dear Sikandar Mashayak, > > > Thank you very much for your advise. That is a great solution. I have > another question. > > When I run ./run in csg-tutorials/propane/atomistic/ with superuser mode > (su), it works. However, when I run the same thing without superuser, the > following error occured. This is because you installed VOTCA as superuser, which is completely unnecessary! Just do what you did before without step 0 (su).
> > Is there any knowing solution? I very appreciate your help. > > > ------------------------------------------------------- > Program grompp, VERSION 4.6.8-dev-20150706-eea54d0 > Source code file: /home/chang/VOTCA/src/gromacs/src/gmxlib/futil.c, line: > 542 > > File input/output error: > mdout.mdp > For more information and tips for troubleshooting, please check the GROMACS > website at http://www.gromacs.org/Documentation/Errors > ------------------------------------------------------- > > > Best regards, > Chang > > > On Wed, Aug 12, 2015 at 12:03 PM, Sikandar Mashayak <[email protected]> > wrote: >> >> Hi Chang, >> >> The error says the cmake could not find GROMACS. Is gromacs installed on >> the machine? If yes, then make sure it is in the PATH. Or you can also try >> building gromacs with tools and csg by running >> >> ./build.sh --prefix ${prefix} -ud gromacs tools csg >> >> I hope it helps. >> >> Cheers, >> Sikandar >> >> On Wed, Aug 12, 2015 at 9:11 AM, CHANG <[email protected]> wrote: >>> >>> Dear VOTCA users, >>> >>> I followed the votca installation process. There is an error occured >>> duing ./build.sh --prefix ${prefix} -ud tools csg >>> >>> >>> 1. su >>> 2. prefix=/home/chang/VOTCA >>> 3. mkdir -p ${prefix}/src >>> 4. cd ${prefix}/src >>> 5. wget http://votca.googlecode.com/hg/build.sh >>> 6. chmod +x build.sh >>> 7. ./build.sh --prefix ${prefix} -ud tools csg >>> >>> The following error ocuured. Would you please let me know what the >>> problem is? >>> Do I need to install gromacs first? >>> >>> >>> >>> -- Looking for sqrt in m - found >>> -- checking for module 'libgmx_d' >>> -- package 'libgmx_d' not found >>> -- Could NOT find GROMACS (missing: GROMACS_LIBRARY GROMACS_INCLUDE_DIR) >>> -- checking for module 'libgmx' >>> -- package 'libgmx' not found >>> -- Could NOT find GROMACS (missing: GROMACS_LIBRARY GROMACS_INCLUDE_DIR) >>> -- checking for module 'libgromacs_d' >>> -- package 'libgromacs_d' not found >>> -- Could NOT find GROMACS (missing: GROMACS_LIBRARY GROMACS_INCLUDE_DIR) >>> -- checking for module 'libgromacs' >>> -- package 'libgromacs' not found >>> -- Could NOT find GROMACS (missing: GROMACS_LIBRARY GROMACS_INCLUDE_DIR) >>> CMake Error at src/libcsg/CMakeLists.txt:20 (message): >>> gromacs not found, make sure you have installed at least the >>> gromacs-4.0.7 >>> 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. (use option >>> -DGROMACS_PKG_OVERWRITE=libgmx/_d for gromacs<5.0 and >>> -DGROMACS_PKG_OVERWRITE=libgromacs/_d for gromacs>=5.0 to influence the >>> search. >>> >>> >>> -- Configuring incomplete, errors occurred! >>> >>> >>> Thank you very much for your help. >>> >>> Best regards, >>> Chang >>> >>> >>> -- >>> You received this message because you are subscribed to the Google Groups >>> "votca" group. >>> To unsubscribe from this group and stop receiving emails from it, send an >>> email to [email protected]. >>> To post to this group, send email to [email protected]. >>> Visit this group at http://groups.google.com/group/votca. >>> For more options, visit https://groups.google.com/d/optout. >> >> >> -- >> You received this message because you are subscribed to the Google Groups >> "votca" group. >> To unsubscribe from this group and stop receiving emails from it, send an >> email to [email protected]. >> To post to this group, send email to [email protected]. >> Visit this group at http://groups.google.com/group/votca. >> For more options, visit https://groups.google.com/d/optout. > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To post to this group, send email to [email protected]. > Visit this group at http://groups.google.com/group/votca. > For more options, visit https://groups.google.com/d/optout. -- Christoph Junghans Web: http://www.compphys.de -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
