Let's try to run the last command separately: csg_call --options settings.xml function csg_get_property cg.inverse.log_file and post the output.
Christoph On Tue, Mar 19, 2019 at 9:05 PM <[email protected]> wrote: > > 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]> 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]. >> > 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]. > 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]. 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.
