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"
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!
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