On Fri, Jul 27, 2018 at 8:28 AM, Aditi Khot <[email protected]> wrote: > Hi, > > I get this error "csg_property: error while loading shared libraries: > libboost_program_options.so.1.67.0: cannot open shared object file: No such > file or directory" when I run "csg_property --help". This hints towards your VOTCA installation being broken. Have you sourced VOTCARC.bash? Otherwise you need to add the path of libboost_program_options.so.1.67.0 to your LD_LIBRARY_PATH.
> The settings.xml file > is as below. It is the file from the tutorial with the addition of the > lammps command and the number of iterations is set to 1 instead of 300. I just ran "csg_inverse --debug --options settings.xml" from spce/ibi_lammps and that generated a 45MB file starting with: + msg 'For a more verbose log see: inverse.log' Can you reproduce the bug with the unmodified settings.xml? And what bash version are using (bash --version)? Christoph > > <cg> > <!-- example for a non-bonded interaction entry --> > <non-bonded> > <!-- name of the interaction --> > <name>CG-CG</name> > <!-- types involved in this interaction --> > <type1>1</type1> > <type2>1</type2> > <!-- dimension + grid spacing of tables for calculations --> > <min>0.0</min> > <max>0.9</max> > <step>0.01</step> > <inverse> > <!-- target distribution (rdf) --> > <target>CG-CG.dist.tgt</target> > <lammps> > <!-- name of the table for lammps run --> > <table>CG_CG.pot</table> > <table_begin>0.20</table_begin> > <table_bins>0.002</table_bins> > </lammps> > </inverse> > </non-bonded> > > <!-- general options for inverse script --> > <inverse> > <!-- 300*0.00831451 lammps units --> > <kBT>2.49435</kBT> > <!-- use lammps as simulation program --> > <program>lammps</program> > <!-- lammps specific options --> > <lammps> > <!-- lammps script to run !--> > <script>spce.in</script> > <!-- topology to be used by csg_stat !--> > <topol>topol.xml</topol> > <!-- traj file created by lammps !--> > <traj>traj.dump</traj> > <!-- lammps command !--> > <command>/depot/bsavoie/apps/lammps/exe/lmp_mpi_180501</command> > </lammps> > <initial_configuration>maindir</initial_configuration> > <!-- these files are copied for each new run --> > <filelist>spce.data spce.in topol.xml spce.dump</filelist> > <!-- do so many iterations --> > <iterations_max>1</iterations_max> > <!-- ibi: inverse biltzmann imc: inverse monte carlo --> > <method>ibi</method> > </inverse> > </cg> > > > Thanks, > Aditi. > > On Thursday, July 26, 2018 at 11:39:16 PM UTC-4, Christoph Junghans wrote: >> >> >> >> On Thu, Jul 26, 2018, 18:41 Aditi Khot <[email protected]> wrote: >>> >>> Hi, >>> >>> Thanks for the reply. I am using the latest master version too. When I >>> run the command "csg_inverse --debug --options settings.xml", it terminates >>> before running any simulations. The following text is printed in the debug >>> mode: >>> enable_logging >>> + local log >>> + [[ -z '' ]] >>> ++ csg_get_property cg.inverse.log_file >>> Terminated >>> >>> I know it terminates at the 'enable_logging' command in the script >>> inverse.sh. It terminates before the simulation even starts. Please tell me >>> what is going wrong! >> >> I don't know, because I cannot reproduce it! >> Which git sha are you using? (Run "git log -1" in the csg folder) >> >> Can you try to run "csg_property --help"? >> Can you post your seetings.xml? >> >> Christoph >>> >>> >>> Thanks, >>> Aditi, >>> >>> >>> On Thursday, July 26, 2018 at 7:35:16 PM UTC-4, Aditi Khot wrote: >>>> >>>> Hi, >>>> >>>> I also have the same issue, I get the same thing at the end when I >>>> switch on debug mode and it doesn't generate the inverse.log file. I am >>>> running the tutorial file of IBI on SPCE water model with LAMMPS. I just >>>> installed VOTCA. Could there be something wrong with the installation? >>>> >>>> >>>> Thanks, >>>> Aditi. >>>> >>>> On Tuesday, July 21, 2015 at 12:07:19 PM UTC-4, Christoph Junghans >>>> wrote: >>>>> >>>>> 2015-07-21 9:22 GMT-06:00 Jingyi Hu <[email protected]>: >>>>> > >>>>> > Hi Sikandar, >>>>> > >>>>> > thanks for the answer. The program just terminated immediately >>>>> > without >>>>> > generating the inverse.log file... >>>>> It seems there was something wrong in the debug mode, this should fix >>>>> it: >>>>> >>>>> <https://code.google.com/p/votca/source/detail?r=c7167b548826d76fd38bc5a6d2324d19ccfa378f&repo=csg> >>>>> >>>>> But as Sikandar pointed out already, usually looking the log file >>>>> (default inverse.log) should sufficient. The debug mode is really last >>>>> resort as it produces gigabytes in log file. >>>>> >>>>> Christoph >>>>> >>>>> > >>>>> > Regards >>>>> > >>>>> > Jin >>>>> > >>>>> > 在 2015年7月21日，下午4:10，Sikandar Mashayak <[email protected]> 写道： >>>>> > >>>>> > Hi Jin, >>>>> > >>>>> > Did you check the inverse.log file? It may contain more information >>>>> > about >>>>> > the error, if any. >>>>> > >>>>> > -- >>>>> > Sikandar >>>>> > >>>>> > On Tue, Jul 21, 2015 at 7:58 AM, jingyi.hu <[email protected]> >>>>> > wrote: >>>>> >> >>>>> >> Hi, >>>>> >> >>>>> >> I followed the ibi tutorial successfully before. However, when I >>>>> >> used my >>>>> >> own files to build ibi model, the program terminated without giving >>>>> >> any >>>>> >> error when I typed: >>>>> >> >>>>> >> csg_inverse --debug --options settings.xml >>>>> >> >>>>> >> The end of the debugging information shows as below: >>>>> >> ... >>>>> >> enable_logging >>>>> >> + local log >>>>> >> + [[ -z '' ]] >>>>> >> ++ csg_get_property cg.inverse.log_file >>>>> >> Terminated >>>>> >> >>>>> >> Can anybody help me with this problem? >>>>> >> >>>>> >> Regards >>>>> >> >>>>> >> Jin >>>>> >> >>>>> >> -- >>>>> >> 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 http://groups.google.com/group/votca. >>>>> >> For more options, visit https://groups.google.com/d/optout. >>>>> > >>>>> > >>>>> > -- >>>>> > 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 http://groups.google.com/group/votca. >>>>> > For more options, visit https://groups.google.com/d/optout. >>>>> > >>>>> > -- >>>>> > 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 http://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. > > -- > 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.
