Hello,
I am running an IBI simulation for a CG bead in water. I have run csg_stat
and csg_map on it without errors. I have a CG bead with residue name PNM
and atom name COM.
I am trying to run csg_inverse on the distribution files generated using
the above commands.
I ran:
csg_inverse --debug --options settings.xml > stderr.txt 2>&1
The stderr.txt file is attached to this message, and so is the settings.xml
file.
Could anyone explain to me how to read the debug message over here? I do
not where the error is located...
I would appreciate any advice you have for me.
The stderr.txt file is:
+ [[ --debug = \-\-\h\e\l\p ]]
+ source
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse/start_framework.sh
++ '[' --debug = --help ']'
++ [[ -n
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca
]]
++ [[ -d
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca
]]
++ [[ -d
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
]]
++ [[ -f
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse/inverse.sh
]]
++ [[ -f
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse/functions_common.sh
]]
++ source
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse/functions_common.sh
+++ [[ --debug = \-\-\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=9540
++ CSG_MASTER_PID=9540
++ export
CSG_MAINDIR=/tigress/satyend/pnipam_tigergpu/PNIPAM_SIMS/UNIQUE_INITIAL_CONFIG/1NIPAM/330K/CG/OneBead/ibi
++
CSG_MAINDIR=/tigress/satyend/pnipam_tigergpu/PNIPAM_SIMS/UNIQUE_INITIAL_CONFIG/1NIPAM/330K/CG/OneBead/ibi
+++ type -p csg_property
++ [[ -n
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/bin/csg_property
]]
++ csg_property --help
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
HDF5-DIAG: Error detected in HDF5 (1.10.7) thread 0:
#000: H5T.c line 1708 in H5Tcopy(): not a datatype or dataset
major: Invalid arguments to routine
minor: Inappropriate type
++ [[ -n '' ]]
++ export
VOTCA_CSG_DEFAULTS=/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/xml/csg_defaults.xml
++
VOTCA_CSG_DEFAULTS=/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/xml/csg_defaults.xml
++ [[ -f
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/xml/csg_defaults.xml
]]
++ add_to_csgshare --at-the-end
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
++ local dir end=no
++ [[ --at-the-end = \-\-\a\t\-\t\h\e\-\e\n\d ]]
++ end=yes
++ shift
++ [[ -z
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
]]
++ for dirlist in '"$@"'
++ old_IFS='
'
++ IFS=:
++ for dir in '$dirlist'
++ eval
dir=/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
+++
dir=/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
++ [[ -d
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
]]
+++ globalize_dir
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
+++ [[ -z
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
]]
+++ [[ -d
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
]]
+++ cd
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
+++ pwd
++
dir=/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
++ [[ yes = \y\e\s ]]
++ export
CSGSHARE=/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
++
CSGSHARE=/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
++ export
PERL5LIB=/opt/rh/devtoolset-7/root//usr/lib64/perl5/vendor_perl:/opt/rh/devtoolset-7/root/usr/lib/perl5:/opt/rh/devtoolset-7/root//usr/share/perl5/vendor_perl:/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
++
PERL5LIB=/opt/rh/devtoolset-7/root//usr/lib64/perl5/vendor_perl:/opt/rh/devtoolset-7/root/usr/lib/perl5:/opt/rh/devtoolset-7/root//usr/share/perl5/vendor_perl:/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
++ IFS='
'
++ check_path_variable CSGSHARE PERL5LIB
++ local old_IFS dir
++ [[ -z CSGSHARE ]]
++ for var in '"$@"'
++ [[ -z CSGSHARE ]]
++ old_IFS='
'
++ IFS=:
++ for dir in '${!var}'
++ [[ -z
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
]]
++ [[
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
= *votca* ]]
++ [[ -d
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
]]
++ IFS='
'
++ for var in '"$@"'
++ [[ -z PERL5LIB ]]
++ old_IFS='
'
++ IFS=:
++ for dir in '${!var}'
++ [[ -z /opt/rh/devtoolset-7/root//usr/lib64/perl5/vendor_perl ]]
++ [[ /opt/rh/devtoolset-7/root//usr/lib64/perl5/vendor_perl = *votca* ]]
++ continue
++ for dir in '${!var}'
++ [[ -z /opt/rh/devtoolset-7/root/usr/lib/perl5 ]]
++ [[ /opt/rh/devtoolset-7/root/usr/lib/perl5 = *votca* ]]
++ continue
++ for dir in '${!var}'
++ [[ -z /opt/rh/devtoolset-7/root//usr/share/perl5/vendor_perl ]]
++ [[ /opt/rh/devtoolset-7/root//usr/share/perl5/vendor_perl = *votca* ]]
++ continue
++ for dir in '${!var}'
++ [[ -z
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
]]
++ [[
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
= *votca* ]]
++ [[ -d
/home/satyend/software/spack/opt/spack/linux-rhel7-broadwell/gcc-9.3.1/votca-csg-2021-vh2kxfbymvudsn3en3wk5xxnie4j73nq/share/votca/scripts/inverse
]]
++ IFS='
'
+ do_iterations=
+ waittime=10
+ unset CSGXMLFILE CSGENDING CSGDEBUG
+ shopt -s extglob
+ [[ -debug != --debug ]]
+ [[ debug = --debug ]]
+ case $1 in
+ export CSGDEBUG=yes
+ CSGDEBUG=yes
+ shift
+ [[ -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
/tigress/satyend/pnipam_tigergpu/PNIPAM_SIMS/UNIQUE_INITIAL_CONFIG/1NIPAM/330K/CG/OneBead/ibi/settings.xml
+ export
CSGXMLFILE=/tigress/satyend/pnipam_tigergpu/PNIPAM_SIMS/UNIQUE_INITIAL_CONFIG/1NIPAM/330K/CG/OneBead/ibi/settings.xml
+
CSGXMLFILE=/tigress/satyend/pnipam_tigergpu/PNIPAM_SIMS/UNIQUE_INITIAL_CONFIG/1NIPAM/330K/CG/OneBead/ibi/settings.xml
+ shift 2
+ [[ '' != '' ]]
+ [[ -z
/tigress/satyend/pnipam_tigergpu/PNIPAM_SIMS/UNIQUE_INITIAL_CONFIG/1NIPAM/330K/CG/OneBead/ibi/settings.xml
]]
+ [[ '' = \c\l\e\a\n ]]
+ enable_logging
+ local log
+ [[ -z '' ]]
++ csg_get_property cg.inverse.log_file
--
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