On Mon, Aug 9, 2021 at 3:19 PM Satyen Dhamankar <[email protected]> wrote: > > Thank you for your response, Christoph. > > I ran csg_inverse without --debug, and I dont see an inverse.log file > actually... > This is a copy of my settings.xml file: I would run "xmlwf settings.xml" to check for syntax errors in the xml file.
Another thing to try is to run "csg_property --help" and see if that gives an error. Christoph > > <cg> > <non-bonded> > <name>COM-WT</name> > <!-- types of molecules involved in this interaction --> > <type1>COM</type1> > <type2>WT</type2> > <!-- dimensions + grid spacing of tables for calculations --> > <min>0</min> > <max>1.4</max> > <step>0.01</step> > <inverse> > <!-- target distribution (rdf) --> > <target>COM-WT.dist.tgt</target> > <!-- update cycles --> > <do_potential>1</do_potential> > <!-- additional post processing of dU before added to potential > --> > <post_update>scale smooth</post_update> > <post_update_options> > <scale>1</scale> <!-- scale the potentials before updating it > --> > <smooth> > <iterations>2</iterations> > </smooth> > </post_update_options> > <post_add></post_add> > <gromacs> > <table>table_COM_WT.xvg<table> > </gromacs> > </inverse> > </non-bonded> > > <non-bonded> > <name>WT-WT</name> > <type1>WT</type1> > <type2>WT</type2> > <min>0</min> > <max>1.4</max> > <step>0.01</step> > <inverse> > <target>WT-WT.dist.tgt</target> > <do_potential>1</do_potential> > <post_update>scale smooth</post_update> > <post_update_options> > <scale>1</scale> > <smooth> > <iterations>2</iterations> > </smooth> > </post_update_options> > <post_add></post_add> > <gromacs> > <table>table_WT_WT.xvg</table> > </gromacs> > </inverse> > </non-bonded> > > <!-- general options for inverse script --> > <inverse> > <kBT>2.7437883000</kBT> > <initial_configuration>maindir</initial_configuration> > <!-- use gromacs as the simulation program --> > <program>gromacs</program> > <gromacs> > <!-- trash so many frames at the beginning --> > <equi_time>500</equi_time> > <table_bins>0.002</table_bins> > <pot_max>1000000</pot_max> > <table_end>5.0</table_end> > <mdrun> > <opts>-nt 8</opts> > </mdrun> > </gromacs> > <!-- these files are copied for each new run --> > <filelist>grompp.mdp topol.top index.ndx table.xvg</filelist> > <!-- do so many iterations --> > <iterations_max>5</iterations_max> > <cleanlist>traj.xtc</cleanlist> > <method>ibi</method> > <log_file>inverse.log</log_file> > <restart_file>restart_points.log</restart_file> > </inverse> > </cg> > > On Monday, August 9, 2021 at 5:12:19 PM UTC-4 Christoph Junghans wrote: >> >> On Mon, Aug 9, 2021 at 15:00 Satyen Dhamankar <[email protected]> wrote: >>> >>> 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... >> >> the debug option is really more a developer option and kind of a last resort >> if everything else fails. >> >> I would start with looking at the inverse.log file first that has tons of >> information already. >> >> What is the error message that you see when running csg_inverse without >> debug? >> >> Christoph >>> >>> >>> >>> 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 >>> >>> -- >>> Join us on Slack: https://join.slack.com/t/votca/signup >>> --- >>> 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 view this discussion on the web visit >>> https://groups.google.com/d/msgid/votca/6c50dbb4-7aa1-43bc-b2e3-88abed5649b5n%40googlegroups.com. >> >> -- >> Christoph Junghans >> Web: http://www.compphys.de > > -- > Join us on Slack: https://join.slack.com/t/votca/signup > --- > 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 view this discussion on the web visit > https://groups.google.com/d/msgid/votca/009f1ec6-9229-4151-b090-4d22ee9a4bc0n%40googlegroups.com. -- Christoph Junghans Web: http://www.compphys.de -- Join us on Slack: https://join.slack.com/t/votca/signup --- 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 view this discussion on the web visit https://groups.google.com/d/msgid/votca/CAHG27e5kDzqDwEpyxqge-VkH4Rxty6FESD5PKymkQQjgMc052w%40mail.gmail.com.
