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". 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.
<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] <javascript:>>
> 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
>>>> >>
>>>> >> --
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>>>> >
>>>> >
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>>>>
>>>>
>>>> --
>>>> Christoph Junghans
>>>> Web: http://www.compphys.de
>>>>
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