2013/6/18 Zhicheng <[email protected]>: > Hi: > When I am ruuning the csg-tutorials/methanol/ibi_espresso, I get the > following error message: > > > Error in startup script: blockfile_read_auto_variable: setmd verlet_flag 1 > reported: unknown md variable "verlet_flag" Your Espresso version is much newer than the one with which we generated the checkpoint. (see https://code.google.com/p/votca/issues/detail?id=130)
We have fixed it in the repository, but haven't create a new release yet. Just use <https://csg-tutorials.votca.googlecode.com/hg/methanol/ibi_espresso/conf.esp.gz> instead. Cheers, Christoph > while executing > "error "blockfile_read_auto_variable: setmd $vname $data reported: $error"" > (procedure "blockfile" line 22) > invoked from within > "blockfile $in read auto" > invoked from within > "while { [blockfile $in read auto] != "eof" } {}" > (file "esp.run.tcl.kA58S" line 2) > > Callstack: > /home/adminuser/votca_ctp/share/votca/scripts/inverse/inverse.sh - > linenumber 234 > do_external - linenumber 170 in > /home/adminuser/votca_ctp/share/votca/scripts/inverse/functions_common.sh > > /home/adminuser/votca_ctp/share/votca/scripts/inverse/run_espresso.sh - > linenumber 146 > critical - linenumber 4 (see 'csg_call --cat function critical') > die - linenumber 2 (see 'csg_call --cat function die') > ############################################################################################################### > # > # > # ERROR: > # > # critical: 'Espresso esp.run.tcl.kA58S' failed > # > # For details see the logfile > /home/adminuser/votca_ctp/src/csg-tutorials/methanol/ibi_espresso/2/inverse.log > # > # > # > ############################################################################################################### > die: (called from 6981) CSG_MASTER_PID is 5739 > die: pids to kill: 5739 6981 > > My operating system is ubuntu 12.10 on virtual machine(Oracle VirtualBox). > What’s wrong with this? I will be grateful for anyone's help! > > > -- > 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/groups/opt_out. > > -- 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/groups/opt_out.
