Thank you very much. -----Original Message----- From: "Christoph Junghans" <[email protected]> Sent: 2/6/2015 19:28 To: "[email protected]" <[email protected]> Subject: Re: [votca] Re: error boost::bad_any_cast
2015-02-05 11:52 GMT-07:00 <[email protected]>: > Hi, > csg_call --version gives me > > csg_call, version 1.3-dev hgid: 199ec5b0c191 That is the latest version! > > Also, during my build , I did not set -DWITH_GMX=OFF and neither I did > provide paths to any of the gromacs dependencies (build did not complain). > This case this not work. > I tried building above version setting gromacs dependencies and it works. I guess, something was screwed up in your previous version, but anyhow, I am glad that it works now. Christoph > > Cheers, > Vikram > > From: Christoph Junghans > Sent: Thursday, February 05, 2015 7:39 PM > To: [email protected] > > 2015-02-05 9:54 GMT-07:00 Vikram Reddy <[email protected]>: >> 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. > No, this error had nothing to do with the gromacs interface. > > Even after compiling VOTCA 1.3-dev without gromacs > $ ./build -Wcdu -DWITH_GMX=OFF tools csg > and running > $ csg_stat --options settings.xml --top topol.xml --trj 1.dump --begin > 0 --first-frame 0 > begin to calculate distribution functions > # of bonded interactions: 0 > # of non-bonded interactions: 1 > Reading frame, timestep 0 > WARNING: topology created from .dump file, masses, charges, types, > residue names are wrong! > I have 2180 beads in 2180 molecules > Reading frame, timestep 0 > written CG-CG.dist.new > > I could not reproduce the error. > > So I guess you had an old/buggy version of the lammps reader, which is > now updated. > > Which version of VOTCA are you using? (run "csg_call --version") > > Christoph > >> >> 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. > > > > -- > Christoph Junghans > Web: http://www.compphys.de > > -- > You received this message because you are subscribed to a topic in the > Google Groups "votca" group. > To unsubscribe from this topic, visit > https://groups.google.com/d/topic/votca/I5vskaRAve0/unsubscribe. > To unsubscribe from this group and all its topics, 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 a topic in the Google Groups "votca" group. To unsubscribe from this topic, visit https://groups.google.com/d/topic/votca/I5vskaRAve0/unsubscribe. To unsubscribe from this group and all its topics, 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.
