Hi Sikandar Thank you by your answer, I understand, I was using an older version, now I try to install the lastest development version c84b0c95a78c, but an error appears. I don't get exactly what's is going on , but I keep trying, do you have any guess ?
Best Regards Marc ...... [ 25%] Building CXX object src/libcsg/CMakeFiles/votca_csg.dir/imcio.cc.o [ 26%] Building CXX object src/libcsg/CMakeFiles/votca_csg.dir/nematicorder.cc.o [ 27%] Building CXX object src/libcsg/CMakeFiles/votca_csg.dir/orthorhombicbox.cc.o [ 28%] Building CXX object src/libcsg/CMakeFiles/votca_csg.dir/csgapplication.cc.o /home/marc/votca1.3/votca.csg/src/libcsg/csgapplication.cc: In member function ‘virtual void votca::csg::CsgApplication::ShowHelpText(std::ostream&)’: /home/marc/votca1.3/votca.csg/src/libcsg/csgapplication.cc:120:45: error: ‘VisibleOptions’ was not declared in this scope make[2]: *** [src/libcsg/CMakeFiles/votca_csg.dir/csgapplication.cc.o] Error 1 make[1]: *** [src/libcsg/CMakeFiles/votca_csg.dir/all] Error 2 make: *** [all] Error 2 On Fri, Nov 1, 2013 at 11:57 PM, Sikandar Mashayak <[email protected]>wrote: > Hi Marc > > The option "nknots_cutoff" was earlier used in the settings.xml file to > specify number of cubic B-spline knots near the cut off which should be > forced to value 0.0 to ensure that CG potential smoothly goes to zero near > the cut-off. > > Later, I decided to fix this nknots_cutoff = 4 because I think fixing 4 > knot values near the cut-off is sufficient in most of the cases and user > should not worry about this number. Hence, instead of taking this number as > an input from user, it is fixed in the source code. > > You should not get the error "property not found: nknots_cutoff" if you > are using latest source code of votca-csg (i.e., revision > > 681d33b7942b<http://code.google.com/p/votca/source/detail?r=681d33b7942bba2d3d213f4e321b17e0c6a00676&repo=csg>). > > > So could you please check if you are correctly downloading the latest > version and installing it. Because, I dont get the same error, when I test > the water spce relative entropy tutorial with the latest development > version of csg source code. > > You can check if you are using the latest version of votca-csg by running > "csg_inverse -h" it will print out the version of votca-csg that you are > using. > > Let us know if you face issues with updating and installing the latest > development version of votca-csg. > > Thanks > Sikandar > > > > On Fri, Nov 1, 2013 at 6:03 PM, Marc Segovia <[email protected]>wrote: > >> Good Night Everyone >> >> I am trying to run re tutorial with spce, but an error appear about >> nknots_cutoff property, I update my dev version without sucess, any >> suggestion ? >> >> Wishing a very good weekend and thanking in advance . >> >> Marc >> >> Dr. Marc Segovia >> CCBG >> Facultad de Quimica >> Universidad de la Republica >> 11800 Montevideo >> Uruguay >> >> ~/votca1.3/csg-tutorials.votca-695b567ead5c/spce/re/step_000 >> Generating potential tables from the initial parameters >> Running critical command 'csg_reupdate --gentable true --param-in-ext >> param.new --options >> /home/marc/votca1.3/csg-tutorials.votca-695b567ead5c/spce/re/settings.xml' >> an error occurred: >> property not found: nknots_cutoff >> >> Callstack: >> /home/marc/votca1.3/share/votca/scripts/inverse/inverse.sh - linenumber >> 166 >> do_external - linenumber 171 in >> /home/marc/votca1.3/share/votca/scripts/inverse/functions_common.sh >> /home/marc/votca1.3/share/votca/scripts/inverse/prepare_re.sh - >> linenumber 36 >> critical - linenumber 4 (see 'csg_call --cat function >> critical') >> die - linenumber 2 (see 'csg_call --cat function die') >> >> ################################################################################################################################################################ >> # >> # >> # >> ERROR: >> # >> # critical: 'csg_reupdate --gentable true --param-in-ext param.new >> --options >> /home/marc/votca1.3/csg-tutorials.votca-695b567ead5c/spce/re/settings.xml' >> failed # >> # For details see the logfile >> /home/marc/votca1.3/csg-tutorials.votca-695b567ead5c/spce/re/inverse.log >> # >> # >> # >> >> ################################################################################################################################################################ >> die: (called from 318) CSG_MASTER_PID is 31799 >> die: pids to kill: 31799 318 >> >> -- >> 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/groups/opt_out. >> > > -- > 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/groups/opt_out. > -- 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/groups/opt_out.
