postprocessor{ }

Calling sequence

postprocessor{ }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional\;within\;the\;group}}\)

  • items: \(\mathrm{maximum\;1}\)

Dependencies
Functionality

A group allowing to run post-processing automatically after the simulation is done.

Examples
postprocessor{
    datafile = "query.bat"
    call = "query.bat"
    goto_output = yes
}

!DATA
# some list of commands here

Nested keywords

datafile

Calling sequence

postprocessor{ datafile }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional\;within\;the\;group}}\)

  • type: \(\mathrm{character\;string}\)

Functionality

If datafile is defined, then a file datafile is created in the output directory. The content of the !DATA section, if it exists, will be written into this file. Possible content in the !DATA section could be, e.g., comments, copyright or user info, or scripts in Python, Julia, Bash, Cmd, etc.

Example
postprocessor{
    datafile = "query.bat"
}

!DATA

dir

goto_output

Calling sequence

postprocessor{ goto_output }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional\;within\;the\;group}}\)

  • type: \(\mathrm{choice}\)

  • choices: yes; no

  • default: yes

Functionality

If goto_output = yes then the shell command defined by call will be launched from within the output directory. Otherwise, the directory from where nextnano++ has been launched will be used.

Warning

Setting goto_output = no may cause conflicts between jobs when running multiple jobs in parallel e.g. in nextnanomat or through a batch system such as HTCondor or Slurm.

Example
postprocessor{
    goto_output = no
    call = dir
}

call

Calling sequence

postprocessor{ call }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional\;within\;the\;group}}\)

  • type: \(\mathrm{character\;string}\)

Functionality

If call is defined, then it is used as a shell command line, typically cmd on Windows and bash on Linux, which will be launched. This command line can, but does not have to, refer to a file defined by datafile.

Attention

Calling GUI based programs such as ParaView is also possible but may interfere with operation of job control tools such as nextnanomat or nextnanopy, as the job will only be considered finished once also all the post-processing tasks are finished.

Note

If nextnano++ is running through a batch system such as HTCondor or Slurm, the postprocessing is executed on the respective destination computer using the file systems available there.

Example
postprocessor{
    goto_output = yes
    call = dir
}