2013/11/4 Marc Segovia <[email protected]>: > 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 My guess is, you forgot to update your tools version!
Cheers, Christoph > > > > 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). >> >> 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. -- 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/groups/opt_out.
