On Thu, Mar 28, 2019 at 11:50 <[email protected]> wrote:
> Hello,
>
> I double checked and I have been sourced both .bash correctly, I even
> added to my bash_profile:
>
> source votca/bin/VOTCARC.bash
> source /usr/local/gromacs/bin/GMXRC.bash
>
> I've tried it on another computer (macOS High Sierra) and the
> 'csg_property --help' option works but the 'csg_inverse' command also gives:
>
> run.sh: line 4: 96084 Terminated: 15 csg_inverse --options
> settings.xml
>
> The output of 'csg_call --options settings.xml function csg_get_property
> cg.inverse.log_file' is also a loop message that can't be be cancel using
> ctrl + C and starts with:
>
> dyld: Library not loaded: @rpath/libvotca_csg.6.dylib
>
.6 is the library of the development version, if you have multiple votca
versions installed, you have to ensure to source the corresponding VOTCARC.
Alternatively you can also set DYLD_LIBRARY_PATH by hand to point to
location of libvotca. Running csg_property itself or inside csg_inverse
should make no difference.
Christoph
> This is the script I'm using to install VOTCA (I have tried v1.4.1, stable
> and master versions):
>
> sudo rm -rf /usr/local/votca
>
> prefix=/usr/local/votca
>
> version=v1.4.1
>
> git clone -b ${version} --recursive https://github.com/votca/votca.git
>
> cd votca
>
> mkdir build
>
> cd build
>
> cmake -DBUILD_CSGAPPS=ON -DCMAKE_INSTALL_PREFIX=${prefix} -DWITH_GMX=ON
> -DGROMACS_INCLUDE_DIR=/usr/local/gromacs/include
> -DGROMACS_LIBRARY=/usr/local/gromacs/lib/libgromacs.dylib
> -DEIGEN3_INCLUDE_DIR=/usr/local/Cellar/eigen/3.3.5/include/eigen3
> -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON ..
>
> sudo make -j5
>
> sudo make install
>
> source votca/bin/VOTCARC.bash
>
> On Wednesday, March 20, 2019 at 8:36:15 AM UTC-6, Christoph Junghans wrote:
>
>> That is strange, now is says:
>> dyld: Library not loaded: @loader_path/../lib/libgromacs_d.4.dylib
>> Referenced from: /Users/ramongonzalezperez/VOTCA/bin/csg_property
>> Reason: image not found
>>
>> Before is said:
>> dyld: Library not loaded: @rpath/libvotca_csg.6.dylib
>> Referenced from: /Users/ramongonzalezperez/VOTCA/bin/csg_property
>> Reason: image not found
>>
>> I am not 100% sure what you changed in your environment, but it seems
>> you hadn't sourced VOTCARC.bash before.
>>
>> Anyhow, I think now you forgot to source Gromacs' GMXRC.bash, you need
>> to source both, VOTCARC.bash and GMXRC.bash.
>>
>> Christoph
>>
>>
>> On Wed, Mar 20, 2019 at 8:14 AM <[email protected]> wrote:
>> >
>> > Here's the output when I run csg_property --help:
>> >
>> > dyld: Library not loaded: @loader_path/../lib/libgromacs_d.4.dylib
>> >
>> > Referenced from: /Users/ramongonzalezperez/VOTCA/bin/csg_property
>> >
>> > Reason: image not found
>> >
>> > Abort trap: 6
>> >
>> >
>> > The content of my VOTCARC:
>> >
>> > #!/usr/bin/env bash
>> >
>> > #
>> >
>> > # Copyright 2009-2017 The VOTCA Development Team (http://www.votca.org)
>>
>> >
>> > #
>> >
>> > # Licensed under the Apache License, Version 2.0 (the "License");
>> >
>> > # you may not use this file except in compliance with the License.
>> >
>> > # You may obtain a copy of the License at
>> >
>> > #
>> >
>> > # http://www.apache.org/licenses/LICENSE-2.0
>> >
>> > #
>> >
>> > # Unless required by applicable law or agreed to in writing, software
>> >
>> > # distributed under the License is distributed on an "AS IS" BASIS,
>> >
>> > # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or
>> implied.
>> >
>> > # See the License for the specific language governing permissions and
>> >
>> > # limitations under the License.
>> >
>> > #
>> >
>> >
>> > #path is never empty
>> >
>> > PATH="/Users/ramongonzalezperez/VOTCA/bin:${PATH}"
>> >
>> > #debian wants to have : at the end
>> >
>> > MANPATH="/Users/ramongonzalezperez/VOTCA/share/man:${MANPATH}"
>> >
>> >
>> DYLD_LIBRARY_PATH="/Users/ramongonzalezperez/VOTCA/lib${DYLD_LIBRARY_PATH:+:}${DYLD_LIBRARY_PATH}"
>>
>> >
>> >
>> PKG_CONFIG_PATH="/Users/ramongonzalezperez/VOTCA/lib/pkgconfig${PKG_CONFIG_PATH:+:}${PKG_CONFIG_PATH}"
>>
>> >
>> >
>> > VOTCASHARE="/Users/ramongonzalezperez/VOTCA/share/votca"
>> >
>> >
>> > export PATH MANPATH DYLD_LIBRARY_PATH PKG_CONFIG_PATH VOTCASHARE
>> >
>> >
>> > #votca rc files
>> >
>> > for rc in "${VOTCASHARE}"/rc/*rc.bash; do
>> >
>> > [ -r "$rc" ] && . "$rc"
>> >
>> > done
>> >
>> > unset rc
>> >
>> >
>> > #bash completion
>> >
>> > if [ -n "$BASH_VERSION" ]; then
>> >
>> > for comp in "${VOTCASHARE}"/rc/*completion.bash; do
>> >
>> > [ -r "$comp" ] && source "$comp"
>> >
>> > done
>> >
>> > unset comp
>> >
>> > fi
>> >
>> >
>> > And when I do the otool:
>> >
>> >
>> /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/objdump:
>> 'csg_property': No such file or directory
>> >
>> >
>> > On Wednesday, March 20, 2019 at 7:47:26 AM UTC-6, Christoph Junghans
>> wrote:
>> >>
>> >> My guess is that.
>> >> > dyld: Library not loaded: @rpath/libvotca_csg.6.dylib
>> >> is the core of the problem.
>> >>
>> >> Can you try to run "csg_property --help" to check if it fails, too?
>> >> Additionally, can you post the content of your VOTCARC? ("cat
>> VOTCARC.bash")
>> >> And do a "otool -l csg_property" as well.
>> >>
>> >> Christoph
>> >>
>> >> On Tue, Mar 19, 2019 at 11:21 PM <[email protected]> wrote:
>> >> >
>> >> > The output is a loop of this message (can't cancel using ctrl + C):
>> >> >
>> >> > dyld: Library not loaded: @rpath/libvotca_csg.6.dylib
>> >> >
>> >> > Referenced from: /Users/ramongonzalezperez/VOTCA/bin/csg_property
>> >> >
>> >> > Reason: image not found
>> >> >
>> >> >
>> /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse/functions_common.sh:
>> line 181: 16817 Abort trap: 6 "$@"
>> >> >
>> >> >
>> >> > Callstack:
>> >> >
>> >> > /Users/ramongonzalezperez/VOTCA/bin/csg_call - linenumber 165
>> >> >
>> >> > csg_get_property - linenumber 338 in
>> /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse/functions_common.sh
>>
>> >> >
>> >> > critical - linenumber 187 in
>> /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse/functions_common.sh
>>
>> >> >
>> >> > die - linenumber 109 in
>> /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse/functions_common.sh
>>
>> >> >
>> >> >
>> ^[[31;01m######################################################################################################
>>
>> >> >
>> >> > #
>> #
>> >> >
>> >> > # ERROR:
>> #
>> >> >
>> >> > # critical: 'csg_property --file settings.xml --path
>> cg.inverse.scriptpath --short --print .' failed #
>> >> >
>> >> > # Details can be found above
>> #
>> >> >
>> >> > #
>> #
>> >> >
>> >> >
>> ######################################################################################################^[[0m
>>
>> >> >
>> >> > csg_get_property: No value for 'cg.inverse.scriptpath' found in
>> settings.xml, trying
>> /Users/ramongonzalezperez/VOTCA/share/votca/xml/csg_defaults.xml
>> >> >
>> >> > dyld: Library not loaded: @rpath/libvotca_csg.6.dylib
>> >> >
>> >> > Referenced from: /Users/ramongonzalezperez/VOTCA/bin/csg_property
>> >> >
>> >> > Reason: image not found
>> >> >
>> >> >
>> /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse/functions_common.sh:
>> line 181: 16825 Abort trap: 6 "$@"
>> >> >
>> >> >
>> >> > Callstack:
>> >> >
>> >> > /Users/ramongonzalezperez/VOTCA/bin/csg_call - linenumber 165
>> >> >
>> >> > csg_get_property - linenumber 344 in
>> /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse/functions_common.sh
>>
>> >> >
>> >> > critical - linenumber 187 in
>> /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse/functions_common.sh
>>
>> >> >
>> >> > die - linenumber 109 in
>> /Users/ramongonzalezperez/VOTCA/share/votca/scripts/inverse/functions_common.sh
>>
>> >> >
>> >> >
>> ^[[31;01m##########################################################################################################################################################
>>
>> >> >
>> >> > #
>>
>> #
>> >> >
>> >> > # ERROR:
>>
>> #
>> >> >
>> >> > # critical: 'csg_property --file
>> /Users/ramongonzalezperez/VOTCA/share/votca/xml/csg_defaults.xml --path
>> cg.inverse.scriptpath --short --print .' failed #
>> >> >
>> >> > # Details can be found above
>>
>> #
>> >> >
>> >> > #
>>
>> #
>> >> >
>> >> >
>> ##########################################################################################################################################################^[[0m
>>
>> >> >
>> >> >
>> >> > On Tuesday, March 19, 2019 at 9:47:29 PM UTC-6, Christoph Junghans
>> wrote:
>> >> >>
>> >> >> 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.
>> >>
>> >>
>> >>
>> >> --
>> >> 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.
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to [email protected].
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