2.6. Command Line

Command line usage:

$ nextnano3_Intel_64bit.exe --inputfile 1D_HEMT.in --database database_nn3.in --license License_nnp.lic --outputdirectory 1D_HEMT/

Currently, nextnano³ provides the following options:

-i input_file, --inputfile input_file

Name of input file to be read in.

Example:

  • --inputfile  1D_GaAs_HEMT.in

  • --inputfile "1D GaAs HEMT.in"

Blanks in file names are supported if using quotation marks " ".

Default value: Entry in keywords.val.

-d database_file, --database database_file

Name of material parameter database file to be read in.

Example:

  • --database database_modified_my_Si_parameters.in

  • --database "my database_nn3.in"

Blanks in file names are supported if using quotation marks " ".

Default value: Entry in file database_nn3_keywords.val, i.e. database_nn3.in.

-l license_file, --license license_file

Name of license file to be read in.

Example:

  • --license license.dat

  • --license License_nnp.lic

  • --license  H:\Documents\nextnano\license\license.dat

  • --license "H:\My Documents\nextnano\license\license.dat"

Default value: License_nnp.lic

-o output_directory, --outputdirectory output_directory

Directory name where to output results.

Example:

  • --outputdirectory  my_output_foldername

  • --outputdirectory  my_output_foldername/

  • --outputdirectory "my output foldername/"

  • --outputdirectory "my output\my folder\"

  • --outputdirectory "<name_of_input_file>"

  • --outputdirectory "<name_of_input_file>\output"

  • --outputdirectory "E:\My Documents\nextnano_output\<name_of_input_file>"

In the last three examples the string <name_of_input_file> is provided and not the name of the input file. This special string <name_of_input_file> will be replaced automatically with the actual name of the input file.

Blanks in folder names are supported if using quotation marks " ".

-t i, --threads i

Number of parallel threads (i = integer) to benefit from parallelization on multi-core CPUs.

Example:

  • --threads 1 uses 1 thread (default)

  • --threads 4 uses 4 threads (only works with an executable that had been compiled with OpenMP option)

  • --threads 0 automatic decision, i.e. use value specified in input file, or use default value if not specified in input file

This setting only affects parallelization of e.g. \(k_{\parallel}\) vectors or energy grid points (NEGF). Parallelization of calls to MKL are still parallelized automatically.

--debuglevel i

Generate additional debug information (i = integer).

Example:

  • --debuglevel 3

The integer number has the following meaning:

  • 0: no debug information at all (default)

  • 1: modest debug information

  • 2: more debug information

  • 3: even more debug information

  • n: any other integer number is also possible, some have specific meanings (for developers only)

  • > 1000: Here, the files keywords_nn3.xml and database_nn3_keywords_nn3.xml are created, which are used by nextnanomat for its auto completion feature.

  • < 0: automatic decision, i.e. use value specified in input file, or use default value if not specified in input file

--log

Generate a *.log file of screen output (standard output).

The file will be written to: <outputdirectory>/<inputfilename>_log.log

--cancel i

Automatically cancel simulation after i minutes (kill, i.e. program stops immediately).

If value is <= 0, the simulation is not canceled.

Example:

  • --cancel 10

--softkill i

Automatically cancel simulation after i minutes (soft kill, i.e. program exits iteration cycle and writes output).

If value is <= 0, the simulation is not canceled.

Example:

  • --softkill 10

Alternative option: If the user saves a file called SOFT_KILL (without file extension) into the output folder of the currently running simulation, a soft kill will be performed.

--system operating_system

Flag indicating on which operating system the executable is executed.

Example:

  • --system default (default)

  • --system windows

  • --system linux

Available options are default, windows, linux, unix and mac.

When default is specified, the corresponding setting of your executable is applied.

Typically, it is not required to specify this flag as the executables had been compiled for the respective operating systems (and thus this setting has already been applied automatically).

Currently, the internal settings for linux, unix, mac are identical.

--condor

Flag that is necessary if job is submitted to HTCondor.

--postprocess

Enable postprocessing from input file using !DATA !ENDDATA keywords.

-p, --parse

Parse input file and quit.

--parse-keywords

Parse keywords.val file. By default, the content of the file keywords.val is read in from within the source code.

--parse-database

Parse database_nn3_keywords.val file. By default, the content of the file database_nn3_keywords.val is read in from within the source code.

-v, --version

Show version number only.

-h, --help

Display available command line options.

Note

For versions before 2021, the double-hyphen flags -- are not supported. Please use instead the appropriate single-hypen flags -:

  • -inputfile

  • -database

  • -license

  • -outputdirectory

  • -help (Displays allowed options.)