11. Executables and Scripts¶
Once you have a model built (see Basics of Using OpenMC), you can either run
the openmc executable directly from the directory containing your XML input
files, or you can specify as a command-line argument the directory containing
the XML input files. For example, if your XML input files are in the directory
/home/username/somemodel/, one way to run the simulation would be:
cd /home/username/somemodel openmc
Alternatively, you could run from any directory:
Note that in the latter case, any output files will be placed in the present
working directory which may be different from
openmc accepts the following command line
|-c, --volume||Run in stochastic volume calculation mode|
|Run in geometry debugging mode, where cell overlaps are checked for after each move of a particle|
|-n, --particles N|
|Use N particles per generation or batch|
|-p, --plot||Run in plotting mode|
|-r, --restart file|
|Restart a previous run from a state point or a particle restart file|
|-s, --threads N|
|Run with N OpenMP threads|
|-t, --track||Write tracks for all particles|
|-v, --version||Show version information|
|-h, --help||Show help message|
If you’re using the Python API,
openmc.run() is equivalent to
openmc from the command line.
This script can be used to create HDF5 nuclear data libraries used by OpenMC if you have existing ACE files. There are four different ways you can specify ACE libraries that are to be converted:
- List each ACE library as a positional argument. This is very useful in
conjunction with the usual shell utilities (
- Use the
--xmloption to specify a pre-v0.9 cross_sections.xml file.
- Use the
--xsdiroption to specify a MCNP xsdir file.
- Use the
--xsdataoption to specify a Serpent xsdata file.
The script does not use any extra information from cross_sections.xml/ xsdir/
xsdata files to determine whether the nuclide is metastable. Instead, the
--metastable argument can be used to specify whether the ZAID naming convention
follows the NNDC data convention (1000*Z + A + 300 + 100*m), or the MCNP data
convention (essentially the same as NNDC, except that the first metastable state
of Am242 is 95242 and the ground state is 95642).
--fission_energy_release argument will accept an HDF5 file
containing a library of fission energy release (ENDF MF=1 MT=458) data. A
library built from ENDF/B-VII.1 data is released with OpenMC and can be found at
openmc/data/fission_Q_data_endb71.h5. This data is necessary for
‘fission-q-prompt’ and ‘fission-q-recoverable’ tallies, but is not needed
|-h, --help||show help message and exit|
|-d DESTINATION, --destination DESTINATION|
|Directory to create new library in|
|-m META, --metastable META|
|How to interpret ZAIDs for metastable nuclides. META can be either ‘nndc’ or ‘mcnp’. (default: nndc)|
|--xml XML||Old-style cross_sections.xml that lists ACE libraries|
|--xsdir XSDIR||MCNP xsdir file that lists ACE libraries|
|Serpent xsdata file that lists ACE libraries|
|HDF5 file containing fission energy release data|
This script generates an HDF5 file called
compton_profiles.h5 that contains
Compton profile data using an existing data library from Geant4. Note that OpenMC includes this data file by default
so it should not be necessary in practice to generate it yourself.
This script generates a depletion chain file called
using ENDF/B-VII.1 nuclear data. If the
is not set, and
do not exist, then ENDF/B-VII.1 data will be downloaded.
This script generates a depletion chain called
using ENDF/B-VII.1 nuclear data for a simplified chain.
The nuclides were chosen by CASL-ORIGEN, which can be found in
Appendix A of Kang Seog Kim, “Specification for the VERA Depletion
CASL-U-2015-1014-000, Rev. 0, ORNL/TM-2016/53, 2016.
Te129 has been added into this chain due to its link to
OPENMC_ENDF_DATA variable is not set,
to not exist, then ENDF/B-VII.1 data will be downloaded.
This script generates an HDF5 file called
stopping_power.h5 that contains
radiative and collision stopping powers and mean excitation energy pulled from
the NIST ESTAR database. Note that OpenMC
includes this data file by default so it should not be necessary in practice to
generate it yourself.
openmc-plot-mesh-tally provides a graphical user interface for plotting mesh
tallies. The path to the statepoint file can be provided as an optional arugment
(if omitted, a file dialog will be presented).
This script converts HDF5 particle track files to VTK
poly data that can be viewed with ParaView or VisIt. The filenames of the
particle track files should be given as posititional arguments. The output
filename can also be changed with the
|-o OUT, --out OUT|
|Output VTK poly filename|
If you have existing XML files that worked in a previous version of OpenMC that
no longer work with the current version, you can try to update these files using
openmc-update-inputs. If any of the given files do not match the most
up-to-date formatting, then they will be automatically rewritten. The old
out-of-date files will not be deleted; they will be moved to a new file with
‘.original’ appended to their name.
Formatting changes that will be made:
- Lattices containing ‘outside’ attributes/tags will be replaced with lattices containing ‘outer’ attributes, and the appropriate cells/universes will be added. Any ‘surfaces’ attributes/elements on a cell will be renamed ‘region’.
- Nuclide names will be changed from ACE aliases (e.g., Am-242m) to HDF5/GND names (e.g., Am242_m1). Thermal scattering table names will be changed from ACE aliases (e.g., HH2O) to HDF5/GND names (e.g., c_H_in_H2O).
This script updates OpenMC’s deprecated multi-group cross section XML files to the latest HDF5-based format.
|-i IN, --input IN|
|Input XML file|
|-o OUT, --output OUT|
|Output file in HDF5 format|
Input files can be checked before executing OpenMC using the
openmc-validate-xml script which is installed alongside the Python API. Two
command line arguments can be set when running
|Location of OpenMC input files.|
|Location of OpenMC RelaxNG files|
If the RelaxNG path is not set, the script will search for these files because
it expects that the user is either running the script located in the install
bin folder or in
src/utils. Once executed, it will match
OpenMC XML files with their RelaxNG schema and check if they are valid. Below
is a table of the messages that will be printed after each file is checked.
|[XML ERROR]||Cannot parse XML file.|
|[NO RELAXNG FOUND]||No RelaxNG file found for XML file.|
|[NOT VALID]||XML file does not match RelaxNG.|
|[VALID]||XML file matches RelaxNG.|
When OpenMC generates voxel plots, they are in an
HDF5 format that is not terribly useful by itself. The
openmc-voxel-to-vtk script converts a voxel HDF5 file to a VTK file. To run this script, you will need to have the VTK
Python bindings installed. To convert a voxel file, simply provide the path to
openmc-voxel-to-vtk script also takes the following optional
|-o, --output||Path to output VTK file|