running csg_inverse --options "settings.xml"
+ [[ --options = \-\-\h\e\l\p ]]
+ source
/Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse/start_framework.sh
++ '[' --options = --help ']'
++ [[ -n /Users/ramongonzalezperez/VOTCA/share/votca ]]
++ [[ -d /Users/ramongonzalezperez/VOTCA/share/votca ]]
++ [[ -d /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse ]]
++ [[ -f
/Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse/inverse.sh ]]
++ [[ -f
/Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse/functions_common.sh
]]
++ source
/Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse/functions_common.sh
+++ [[ --options = \-\-\h\e\l\p ]]
+++ export BASH
+++ shopt -s extglob
+++ export -f msg
+++ export -f show_callstack
+++ unset -f die
+++ export -f die
+++ export -f cat_external
+++ export -f do_external
+++ export -f critical
+++ export -f for_all
+++ export -f csg_get_interaction_property
+++ export -f csg_get_property
+++ export -f trim_all
+++ export -f mark_done
+++ export -f is_done
+++ export -f is_int
+++ export -f to_int
+++ export -f is_part
+++ export -f has_duplicate
+++ export -f remove_duplicate
+++ export -f is_num
+++ export -f get_stepname
+++ export -f update_stepnames
+++ export -f get_current_step_dir
+++ export -f get_last_step_dir
+++ export -f get_main_dir
+++ export -f get_current_step_nr
+++ export -f get_step_nr
+++ export -f cp_from_main_dir
+++ export -f cp_from_last_step
+++ export -f get_time
+++ export -f get_number_tasks
+++ export -f get_table_comment
+++ export -f csg_inverse_clean
+++ export -f check_path_variable
+++ export -f add_to_csgshare
+++ export -f globalize_dir
+++ export -f globalize_file
+++ export -f source_function
+++ export -f csg_banner
+++ export -f csg_calc
+++ export -f show_csg_tables
+++ export -f get_command_from_csg_tables
+++ export -f source_wrapper
+++ export -f find_in_csgshare
++++ type -p mktemp
+++ '[' -z /usr/bin/mktemp ']'
+++ export -f enable_logging
+++ export -f get_restart_file
+++ export -f check_for_obsolete_xml_options
+++ export -f command_not_found_handle
+++ for i in simulation_finish checkpoint_exist get_simulation_setting
+++ eval 'simulation_finish()' '{' command_not_found_handle
'simulation_finish;' '}'
+++ eval export -f simulation_finish
++++ export -f simulation_finish
+++ for i in simulation_finish checkpoint_exist get_simulation_setting
+++ eval 'checkpoint_exist()' '{' command_not_found_handle
'checkpoint_exist;' '}'
+++ eval export -f checkpoint_exist
++++ export -f checkpoint_exist
+++ for i in simulation_finish checkpoint_exist get_simulation_setting
+++ eval 'get_simulation_setting()' '{' command_not_found_handle
'get_simulation_setting;' '}'
+++ eval export -f get_simulation_setting
++++ export -f get_simulation_setting
+++ unset i
++ export CSG_MASTER_PID=67692
++ CSG_MASTER_PID=67692
++ export
CSG_MAINDIR=/Users/ramongonzalezperez/votca/csg-tutorials/hexane/ibi_all
++ CSG_MAINDIR=/Users/ramongonzalezperez/votca/csg-tutorials/hexane/ibi_all
++ [[ -n '' ]]
++ export
VOTCA_CSG_DEFAULTS=/Users/ramongonzalezperez/VOTCA/share/votca/xml/csg_defaults.xml
++
VOTCA_CSG_DEFAULTS=/Users/ramongonzalezperez/VOTCA/share/votca/xml/csg_defaults.xml
++ [[ -f /Users/ramongonzalezperez/VOTCA/share/votca/xml/csg_defaults.xml ]]
++ add_to_csgshare --at-the-end
/Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse
++ local dir end=no
++ [[ --at-the-end = \-\-\a\t\-\t\h\e\-\e\n\d ]]
++ end=yes
++ shift
++ [[ -z /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse ]]
++ for dirlist in '"$@"'
++ old_IFS='
'
++ IFS=:
++ for dir in '$dirlist'
++ eval dir=/Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse
+++ dir=/Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse
++ [[ -d /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse ]]
+++ globalize_dir
/Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse
+++ [[ -z /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse ]]
+++ [[ -d /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse ]]
+++ cd /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse
+++ pwd
++ dir=/Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse
++ [[ yes = \y\e\s ]]
++ export
CSGSHARE=/Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse
++ CSGSHARE=/Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse
++ export
PERL5LIB=/Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse
++ PERL5LIB=/Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse
++ export
PYTHONPATH=/Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse
++ PYTHONPATH=/Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse
++ IFS='
'
++ check_path_variable CSGSHARE PERL5LIB PYTHONPATH
++ local old_IFS dir
++ [[ -z CSGSHARE ]]
++ for var in '"$@"'
++ [[ -z CSGSHARE ]]
++ old_IFS='
'
++ IFS=:
++ for dir in '${!var}'
++ [[ -z /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse ]]
++ [[ /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse = *votca*
]]
++ [[ -d /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse ]]
++ IFS='
'
++ for var in '"$@"'
++ [[ -z PERL5LIB ]]
++ old_IFS='
'
++ IFS=:
++ for dir in '${!var}'
++ [[ -z /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse ]]
++ [[ /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse = *votca*
]]
++ [[ -d /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse ]]
++ IFS='
'
++ for var in '"$@"'
++ [[ -z PYTHONPATH ]]
++ old_IFS='
'
++ IFS=:
++ for dir in '${!var}'
++ [[ -z /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse ]]
++ [[ /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse = *votca*
]]
++ [[ -d /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse ]]
++ IFS='
'
+ do_iterations=
+ waittime=10
+ unset CSGXMLFILE CSGENDING CSGDEBUG
+ shopt -s extglob
+ [[ -options != --options ]]
+ [[ options = --options ]]
+ case $1 in
+ CSGXMLFILE=settings.xml
+ [[ -f settings.xml ]]
++ globalize_file settings.xml
++ [[ -z settings.xml ]]
++ [[ -f settings.xml ]]
++ local dir
++ [[ settings.xml = settings.xml ]]
++ dir=.
+++ globalize_dir .
+++ [[ -z . ]]
+++ [[ -d . ]]
+++ cd .
+++ pwd
++ echo
/Users/ramongonzalezperez/votca/csg-tutorials/hexane/ibi_all/settings.xml
+ export
CSGXMLFILE=/Users/ramongonzalezperez/votca/csg-tutorials/hexane/ibi_all/settings.xml
+
CSGXMLFILE=/Users/ramongonzalezperez/votca/csg-tutorials/hexane/ibi_all/settings.xml
+ shift 2
+ [[ -debug != --debug ]]
+ [[ debug = --debug ]]
+ case $1 in
+ export CSGDEBUG=yes
+ CSGDEBUG=yes
+ shift
+ [[ '' != '' ]]
+ [[ -z
/Users/ramongonzalezperez/votca/csg-tutorials/hexane/ibi_all/settings.xml ]]
+ [[ '' = \c\l\e\a\n ]]
+ enable_logging
+ local log
+ [[ -z '' ]]
++ csg_get_property cg.inverse.log_file
./run.sh: line 4: 67692 Terminated: 15 csg_inverse --options
settings.xml --debug
On Tuesday, March 19, 2019 at 8:59:31 PM UTC-6, Christoph Junghans wrote:
>
> On Tue, Mar 19, 2019 at 6:52 PM <[email protected] <javascript:>>
> wrote:
> >
> > Yes, I sourced using
> >
> > source votca/bin/VOTCARC.bash
> >
> > The version is 1.6-dev.
> Try to add "--debug" to csg_inverse call and post the output here.
>
> Christoph
> >
> > On Tuesday, March 19, 2019 at 5:49:18 PM UTC-6, Christoph Junghans
> wrote:
> >>
> >> On Tue, Mar 19, 2019 at 5:32 PM <[email protected]> wrote:
> >> >
> >> > Hello,
> >> >
> >> > I get this output when I execute csg_inverse:
> >> >
> >> > running csg_inverse --options "settings.xml"
> >> >
> >> > ./run.sh: line 4: 42366 Terminated: 15 csg_inverse --options
> settings.xml
> >> >
> >> >
> >> > What could be the problem?
> >> What version of VOTCA is this?
> >> Did you source VOTCARC?
> >>
> >> Christoph
> >> >
> >> > --
> >> > 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 https://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 [email protected] <javascript:>.
> > To post to this group, send email to [email protected]
> <javascript:>.
> > Visit this group at https://groups.google.com/group/votca.
> > For more options, visit https://groups.google.com/d/optout.
>
>
>
> --
> Christoph Junghans
> Web: http://www.compphys.de
>
--
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