[votca] Re: error boost::bad_any_cast
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 votca+unsubscr...@googlegroups.com. To post to this group, send email to votca@googlegroups.com. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
Re: [votca] Re: error boost::bad_any_cast
2015-02-05 9:54 GMT-07:00 Vikram Reddy vikram.theind...@gmail.com: 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 votca+unsubscr...@googlegroups.com. To post to this group, send email to votca@googlegroups.com. 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 votca+unsubscr...@googlegroups.com. To post to this group, send email to votca@googlegroups.com. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
Re: [votca] Re: error boost::bad_any_cast
Hi, csg_call --version gives me csg_call, version 1.3-dev hgid: 199ec5b0c191 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. Cheers, Vikram From: Christoph Junghans Sent: Thursday, February 05, 2015 7:39 PM To: votca@googlegroups.com 2015-02-05 9:54 GMT-07:00 Vikram Reddy vikram.theind...@gmail.com: 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 votca+unsubscr...@googlegroups.com. To post to this group, send email to votca@googlegroups.com. 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 votca+unsubscr...@googlegroups.com. To post to this group, send email to votca@googlegroups.com. 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 votca+unsubscr...@googlegroups.com. To post to this group, send email to votca@googlegroups.com. Visit this group at
