Thank you, it works now. I did not install the gromacs interface earlier, thinking that I would not need it. This probably installs interfaces for all the other MD programs as well, including lammps. So, including gromacs libraries solved the problem.
Thanks again. Cheers, Vikram On Wednesday, February 4, 2015 at 9:18:33 PM UTC+1, Vikram Reddy wrote: > > 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* > > *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.
