2015-02-04 13:18 GMT-07:00 Vikram Reddy <[email protected]>: > Dear Votca users, I am just starting to use votca with lammps. I tried > running the example 'csg-tutorials/spce/ibi_lammps'. I didn't change > anything in the given script (except for the lammps command). I get the > following error and I don't seem to understand why. Please help. Thanks in > advance. > > Running critical command 'csg_stat --nt 64 --options > /home/va83ruvu/votca/src/csg-tutorials/spce/ibi_lammps/settings.xml --top > topol.xml --trj traj.dump --begin 0 --first-frame 0' > an error occurred: > boost::bad_any_cast: failed conversion using boost::any_cast Did you change anything in settings.xml? And could you attach the 1st frame of traj.dump to your reply?
> > Callstack: > /home/va83ruvu/votca/share/votca/scripts/inverse/inverse.sh - linenumber 263 > do_external - linenumber 175 in > /home/va83ruvu/votca/share/votca/scripts/inverse/functions_common.sh > /home/va83ruvu/votca/share/votca/scripts/inverse/update_ibi.sh - > linenumber 31 > for_all - linenumber 22 (see 'csg_call --cat function for_all') > do_external - linenumber 19 (see 'csg_call --cat > function do_external') > > /home/va83ruvu/votca/share/votca/scripts/inverse/calc_rdf_generic.sh - > linenumber 73 > critical - linenumber 4 (see 'csg_call --cat > function critical') > die - linenumber 2 (see 'csg_call --cat > function die') > ############################################################################################################################################################################### > # > # > # ERROR: > # > # critical: 'csg_stat --nt 64 --options > /home/va83ruvu/votca/src/csg-tutorials/spce/ibi_lammps/settings.xml --top > topol.xml --trj traj.dump --begin 0 --first-frame 0' failed # > # For details see the logfile > /home/va83ruvu/votca/src/csg-tutorials/spce/ibi_lammps/inverse.log > # > # > # > ############################################################################################################################################################################### > die: (called from 48760) CSG_MASTER_PID is 46956 > die: pids to kill: 46956 48524 48745 48760 > > > Cheers, > Vikram > > -- > 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.
