What steps will reproduce the problem?
1.running csg-tutorials/methanol/ibi_espresso
2.
3.
What is the expected output? What do you see instead?
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
What version of the product are you using? On what operating system?
votca-csg-1.2.3
ubuntu 12.10 on virtual machine(Oracle VirtualBox)
Please provide any additional information below.
Original issue reported on code.google.com by ZCGuo1...@gmail.com on 17 Jun 2013 at 1:39
Original issue reported on code.google.com by
ZCGuo1...@gmail.com
on 17 Jun 2013 at 1:39