I think i found the "error": If you use lammps as simulator, votca looks for "traj.dump" afterwards to mark the simulation as done.
Am Samstag, 17. Oktober 2015 13:52:31 UTC+2 schrieb frank Zack: > > Hi, > > I got the following error using ibi: > > Callstack: > /home/user/votca/share/votca/scripts/inverse/inverse.sh - linenumber 244 > do_external - linenumber 177 in > /home/user/votca/share/votca/scripts/inverse/functions_common.sh > die - linenumber 109 in > /home/user/votca/share/votca/scripts/inverse/functions_common.sh > #################################################################### > # # > # ERROR: # > # do_external: subscript # > # /home/user/votca/share/votca/scripts/inverse/run_genericsim.sh # > # (from tags run lammps) failed # > # For details see the logfile /work/user/VOTCA/inverse.log # > # # > #################################################################### > die: (called from 31384) CSG_MASTER_PID is 31384 > die: pids to kill: 31384 > > unfortunately there are no hints, what might be the reason. > Can you give me an advice please? > And how can I find out which scripts are executed after the MD-simulation? > > thx in advance, > > regards, > frank. > -- 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.
