from collections.abc import Iterable
from numbers import Integral
import os
import subprocess
import openmc
from .plots import _get_plot_image
def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
plot=False, restart_file=None, threads=None,
tracks=False, event_based=None,
openmc_exec='openmc', mpi_args=None, path_input=None):
"""Converts user-readable flags in to command-line arguments to be run with
the OpenMC executable via subprocess.
Parameters
----------
volume : bool, optional
Run in stochastic volume calculation mode. Defaults to False.
geometry_debug : bool, optional
Turn on geometry debugging during simulation. Defaults to False.
particles : int, optional
Number of particles to simulate per generation.
plot : bool, optional
Run in plotting mode. Defaults to False.
restart_file : str or PathLike
Path to restart file to use
threads : int, optional
Number of OpenMP threads. If OpenMC is compiled with OpenMP threading
enabled, the default is implementation-dependent but is usually equal
to the number of hardware threads available (or a value set by the
:envvar:`OMP_NUM_THREADS` environment variable).
tracks : bool, optional
Enables the writing of particles tracks. The number of particle
tracks written to tracks.h5 is limited to 1000 unless
Settings.max_tracks is set. Defaults to False.
event_based : None or bool, optional
Turns on event-based parallelism if True. If None, the value in
the Settings will be used.
openmc_exec : str, optional
Path to OpenMC executable. Defaults to 'openmc'.
mpi_args : list of str, optional
MPI execute command and any additional MPI arguments to pass,
e.g., ['mpiexec', '-n', '8'].
path_input : str or PathLike
Path to a single XML file or a directory containing XML files for the
OpenMC executable to read.
.. versionadded:: 0.13.0
Returns
-------
args : Iterable of str
The runtime flags converted to CLI arguments of the OpenMC executable
"""
args = [openmc_exec]
if volume:
args.append('--volume')
if isinstance(particles, Integral) and particles > 0:
args += ['-n', str(particles)]
if isinstance(threads, Integral) and threads > 0:
args += ['-s', str(threads)]
if geometry_debug:
args.append('-g')
if event_based is not None:
if event_based:
args.append('-e')
if isinstance(restart_file, (str, os.PathLike)):
args += ['-r', str(restart_file)]
if tracks:
args.append('-t')
if plot:
args.append('-p')
if mpi_args is not None:
args = mpi_args + args
if path_input is not None:
args += [path_input]
return args
def _run(args, output, cwd):
# Launch a subprocess
p = subprocess.Popen(args, cwd=cwd, stdout=subprocess.PIPE,
stderr=subprocess.STDOUT, universal_newlines=True)
# Capture and re-print OpenMC output in real-time
lines = []
while True:
# If OpenMC is finished, break loop
line = p.stdout.readline()
if not line and p.poll() is not None:
break
lines.append(line)
if output:
# If user requested output, print to screen
print(line, end='')
# Raise an exception if return status is non-zero
if p.returncode != 0:
# Get error message from output and simplify whitespace
output = ''.join(lines)
if 'ERROR: ' in output:
_, _, error_msg = output.partition('ERROR: ')
elif 'what()' in output:
_, _, error_msg = output.partition('what(): ')
else:
error_msg = 'OpenMC aborted unexpectedly.'
error_msg = ' '.join(error_msg.split())
raise RuntimeError(error_msg)
[docs]def plot_geometry(output=True, openmc_exec='openmc', cwd='.', path_input=None):
"""Run OpenMC in plotting mode
Parameters
----------
output : bool, optional
Capture OpenMC output from standard out
openmc_exec : str, optional
Path to OpenMC executable
cwd : str, optional
Path to working directory to run in
path_input : str
Path to a single XML file or a directory containing XML files for the
OpenMC executable to read.
.. versionadded:: 0.13.3
Raises
------
RuntimeError
If the `openmc` executable returns a non-zero status
"""
args = [openmc_exec, '-p']
if path_input is not None:
args += [path_input]
_run(args, output, cwd)
[docs]def plot_inline(plots, openmc_exec='openmc', cwd='.', path_input=None):
"""Display plots inline in a Jupyter notebook.
.. versionchanged:: 0.13.0
The *convert_exec* argument was removed since OpenMC now produces
.png images directly.
Parameters
----------
plots : Iterable of openmc.Plot
Plots to display
openmc_exec : str
Path to OpenMC executable
cwd : str, optional
Path to working directory to run in
path_input : str
Path to a single XML file or a directory containing XML files for the
OpenMC executable to read.
.. versionadded:: 0.13.3
Raises
------
RuntimeError
If the `openmc` executable returns a non-zero status
"""
from IPython.display import display
if not isinstance(plots, Iterable):
plots = [plots]
# Create plots.xml
openmc.Plots(plots).export_to_xml(cwd)
# Run OpenMC in geometry plotting mode
plot_geometry(False, openmc_exec, cwd, path_input)
if plots is not None:
images = [_get_plot_image(p, cwd) for p in plots]
display(*images)
[docs]def calculate_volumes(threads=None, output=True, cwd='.',
openmc_exec='openmc', mpi_args=None,
path_input=None):
"""Run stochastic volume calculations in OpenMC.
This function runs OpenMC in stochastic volume calculation mode. To specify
the parameters of a volume calculation, one must first create a
:class:`openmc.VolumeCalculation` instance and assign it to
:attr:`openmc.Settings.volume_calculations`. For example:
>>> vol = openmc.VolumeCalculation(domains=[cell1, cell2], samples=100000)
>>> settings = openmc.Settings()
>>> settings.volume_calculations = [vol]
>>> settings.export_to_xml()
>>> openmc.calculate_volumes()
Parameters
----------
threads : int, optional
Number of OpenMP threads. If OpenMC is compiled with OpenMP threading
enabled, the default is implementation-dependent but is usually equal
to the number of hardware threads available (or a value set by the
:envvar:`OMP_NUM_THREADS` environment variable).
output : bool, optional
Capture OpenMC output from standard out
openmc_exec : str, optional
Path to OpenMC executable. Defaults to 'openmc'.
mpi_args : list of str, optional
MPI execute command and any additional MPI arguments to pass,
e.g., ['mpiexec', '-n', '8'].
cwd : str, optional
Path to working directory to run in. Defaults to the current working
directory.
path_input : str or PathLike
Path to a single XML file or a directory containing XML files for the
OpenMC executable to read.
Raises
------
RuntimeError
If the `openmc` executable returns a non-zero status
See Also
--------
openmc.VolumeCalculation
"""
args = _process_CLI_arguments(volume=True, threads=threads,
openmc_exec=openmc_exec, mpi_args=mpi_args,
path_input=path_input)
_run(args, output, cwd)
[docs]def run(particles=None, threads=None, geometry_debug=False,
restart_file=None, tracks=False, output=True, cwd='.',
openmc_exec='openmc', mpi_args=None, event_based=False,
path_input=None):
"""Run an OpenMC simulation.
Parameters
----------
particles : int, optional
Number of particles to simulate per generation.
threads : int, optional
Number of OpenMP threads. If OpenMC is compiled with OpenMP threading
enabled, the default is implementation-dependent but is usually equal to
the number of hardware threads available (or a value set by the
:envvar:`OMP_NUM_THREADS` environment variable).
geometry_debug : bool, optional
Turn on geometry debugging during simulation. Defaults to False.
restart_file : str or PathLike
Path to restart file to use
tracks : bool, optional
Enables the writing of particles tracks. The number of particle tracks
written to tracks.h5 is limited to 1000 unless Settings.max_tracks is
set. Defaults to False.
output : bool
Capture OpenMC output from standard out
cwd : str, optional
Path to working directory to run in. Defaults to the current working
directory.
openmc_exec : str, optional
Path to OpenMC executable. Defaults to 'openmc'.
mpi_args : list of str, optional
MPI execute command and any additional MPI arguments to pass, e.g.,
['mpiexec', '-n', '8'].
event_based : bool, optional
Turns on event-based parallelism, instead of default history-based
.. versionadded:: 0.12
path_input : str or PathLike
Path to a single XML file or a directory containing XML files for the
OpenMC executable to read.
.. versionadded:: 0.13.3
Raises
------
RuntimeError
If the `openmc` executable returns a non-zero status
"""
args = _process_CLI_arguments(
volume=False, geometry_debug=geometry_debug, particles=particles,
restart_file=restart_file, threads=threads, tracks=tracks,
event_based=event_based, openmc_exec=openmc_exec, mpi_args=mpi_args,
path_input=path_input)
_run(args, output, cwd)