postprocessor{ }

Calling sequence

postprocessor{ }

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Dependencies

• At least one of postprocessor{ datafile } and postprocessor{ call } must be specified within this group.

Functionality

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

Attention

This group is ignored by default. It is active only when nextnano++ is run with an option --postprocessor.

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: $\mathrm{optional}$

• type: 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: $\mathrm{optional}$

• type: choice

• values: yes or 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: $\mathrm{optional}$

• type: 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
}