build PyPIConGPu and PICMI interfaces

lib/python/picongpu/picmi/requirements.txt

@@ -3,4 +3,5 @@ sympy >= 1.9
 chevron >= 0.13.1
 jsonschema == 4.17.3
 scipy >= 1.7.1
+pydantic >= 2.6.4
 picmistandard >= 0.27.0

lib/python/picongpu/picmi/simulation.py

@@ -1,11 +1,11 @@
 """
 This file is part of the PIConGPU.
-Copyright 2021-2023 PIConGPU contributors
+Copyright 2021-2024 PIConGPU contributors
 Authors: Hannes Troepgen, Brian Edward Marre
 License: GPLv3+
 """
 
-from ..pypicongpu import simulation, runner, util, species
+from ..pypicongpu import simulation, runner, util, species, movingwindow
 from . import constants
 from .grid import Cartesian3DGrid
 from .species import Species as PicongpuPicmiSpecies
@@ -97,6 +97,8 @@ def __init__(
  self,
  picongpu_template_dir: typing.Optional[typing.Union[str, pathlib.Path]] = None,
  picongpu_typical_ppc: typing.Optional[int] = None,
+ picongpu_moving_window_move_point: typing.Optional[float] = None,
+ picongpu_moving_window_stop_iteration: typing.Optional[int] = None,
  **kw,
  ):
  # delegate actual work to parent
@@ -117,6 +119,9 @@ def __init__(
  assert template_path.is_dir(), "picongpu_template_dir must be existing dir"
  self.picongpu_template_dir = str(template_path)
 
+ self.moving_window_move_point = picongpu_moving_window_move_point
+ self.moving_window_stop_iteration = picongpu_moving_window_stop_iteration
+
  self.picongpu_typical_ppc = picongpu_typical_ppc
 
  # store runner state
@@ -439,6 +444,13 @@ def get_as_pypicongpu(self) -> simulation.Simulation:
  # todo: check grid compatibility
  s.grid = self.solver.grid.get_as_pypicongpu()
 
+ if self.moving_window_move_point is None:
+ s.moving_window = None
+ else:
+ s.moving_window = movingwindow.MovingWindow(
+ move_point=self.moving_window_move_point, stop_iteration=self.moving_window_stop_iteration
+ )
+
  # any injection method != None is not supported
  if len(self.laser_injection_methods) != self.laser_injection_methods.count(None):
  util.unsupported("laser injection method", self.laser_injection_methods, [])

lib/python/picongpu/pypicongpu/movingwindow.py

@@ -0,0 +1,36 @@
+"""
+This file is part of the PIConGPU.
+Copyright 2024 PIConGPU contributors
+Authors: Brian Edward Marre
+License: GPLv3+
+"""
+
+import pydantic
+import typing
+
+from .rendering import RenderedObject
+
+
+class MovingWindow(RenderedObject, pydantic.BaseModel):
+ move_point: float
+ """
+ point a light ray reaches in y from the left border until we begin sliding the simulation window with the speed of
+ light
+
+ in multiples of the simulation window size
+
+ @attention if moving window is active, one gpu in y direction is reserved for initializing new spaces,
+ thereby reducing the simulation window size according
+ """
+
+ stop_iteration: typing.Optional[int]
+ """iteration, at which to stop moving the simulation window"""
+
+ def check(self) -> None:
+ if self.move_point < 0.0:
+ raise ValueError("window_move point must be >= 0.")
+ if self.stop_iteration <= 0:
+ raise ValueError("stop iteration must be > 0.")
+
+ def _get_serialized(self) -> dict:
+ return {"move_point": self.move_point, "stop_iteration": self.stop_iteration}

lib/python/picongpu/pypicongpu/simulation.py

@@ -7,6 +7,7 @@
 
 from .grid import Grid3D
 from .laser import GaussianLaser
+from .movingwindow import MovingWindow
 from .solver import Solver
 from . import species
 from . import util
@@ -62,6 +63,9 @@ class Simulation(RenderedObject):
  @attention custom user input is global to the simulation
  """
 
+ moving_window = util.build_typesafe_property(typing.Optional[MovingWindow])
+ """used moving Window, set to None to disable"""
+
  def __get_output_context(self) -> dict:
  """retrieve all output objects"""
  auto = output.Auto()
@@ -129,6 +133,11 @@ def _get_serialized(self) -> dict:
  else:
  serialized["laser"] = None
 
+ if self.moving_window is not None:
+ serialized["moving_window"] = self.moving_window.get_rendering_context()
+ else:
+ serialized["moving_window"] = None
+
  if self.custom_user_input is not None:
  serialized["customuserinput"] = self.__render_custom_user_input_list()
  self.__foundCustomInput(serialized)

lib/python/picongpu/pypicongpu/species/operation/simpledensity.py

@@ -9,7 +9,7 @@
 from typeguard import typechecked
 from ... import util
 from ..species import Species
-from .densityprofile import DensityProfile
+from .densityprofile.densityprofile import DensityProfile
 import typing
 from ..attribute import Position, Weighting
 from ..constant import DensityRatio

share/ci/pypicongpu_generator.py

@@ -293,6 +293,7 @@ def print_job_yaml(test_pkg_versions: Dict[str, List[str]]):
  "typeguard": get_all_major_pypi_versions,
  "jsonschema": get_all_pypi_versions, # @todo change back, Brian Marre, 2023
  "picmistandard": get_all_pypi_versions,
+ "pydantic": get_all_major_pypi_versions,
 }
 
 if __name__ == "__main__":

share/picongpu/pypicongpu/schema/movingwindow.MovingWindow.json

@@ -0,0 +1,24 @@
+{
+ "$id": "https://registry.hzdr.de/crp/picongpu/schema/picongpu.pypicongpu.movingwindow.MovingWindow",
+ "type": "object",
+ "description": "moving window setting of picongpu",
+ "unevaluatedProperties": false,
+ "required": ["move_point", "stop_iteration"],
+ "properties": {
+ "move_point": {
+ "type": "number",
+ "minimum" : 0
+ },
+ "stop_iteration": {
+ "anyOf": [
+ {
+ "type": "null"
+ },
+ {
+ "type": "integer",
+ "exclusiveMinimum" : 0
+ }
+ ]
+ }
+ }
+}

share/picongpu/pypicongpu/schema/simulation.Simulation.json

@@ -33,13 +33,13 @@
  }
  ]
  },
- "moving_window_velocity": {
+ "moving_window": {
  "anyOf": [
  {
  "type": "null"
  },
  {
- "$ref": "https://registry.hzdr.de/crp/picongpu/schema/picongpu.pypicongpu.movingWindowVelocity"
+ "$ref": "https://registry.hzdr.de/crp/picongpu/schema/picongpu.pypicongpu.movingwindow.MovingWindow"
  }
  ]
  },
@@ -81,7 +81,7 @@
  "solver",
  "grid",
  "laser",
- "moving_window_velocity",
+ "moving_window",
  "customuserinput"
  ],
  "unevaluatedProperties": false

share/picongpu/pypicongpu/template/etc/picongpu/N.cfg.mustache

@@ -1,4 +1,5 @@
-# Copyright 2013-2023 Axel Huebl, Rene Widera, Felix Schmitt, Franz Poeschel
+# Copyright 2013-2023 Axel Huebl, Rene Widera, Felix Schmitt, Franz Poeschel,
+# Hannes Tropegen, Brian Marre
 #
 # This file is part of PIConGPU.
 #
@@ -60,15 +61,13 @@ TBG_wallTime="1:00:00"
 
 TBG_steps="{{{time_steps}}}"
 
-{{#grid.boundary_condition}}
- TBG_periodic="--periodic {{{x}}} {{{y}}} {{{z}}}"
-{{/grid.boundary_condition}}
-
-
 #################################
 ## Section: Optional Variables ##
 #################################
 
+{{#grid.boundary_condition}}
+ TBG_periodic="--periodic {{{x}}} {{{y}}} {{{z}}}"
+{{/grid.boundary_condition}}
 
 {{#output.auto}}
 # only use charge conservation if solver is yee AND using cuda backend
@@ -80,6 +79,14 @@ else
 fi
 {{/output.auto}}
 
+{{#moving_window}}
+ TBG_movingWindow="-m"
+ TBG_windowMovePoint="--windowMovePoint {{{move_point}}}"
+ {{#stop_iteration}}
+ TBG_stopWindow="--stopWindow {{{stop_iteration}}}"
+ {{/stop_iteration}}
+{{/moving_window}}
+
 pypicongpu_output_with_newlines="
  {{#output.auto}}
  --fields_energy.period {{{period}}}
@@ -114,23 +121,26 @@ TBG_pypicongpu_output=$(sed -z 's/\n/ /g' <<< "$pypicongpu_output_with_newlines"
 
 TBG_plugins="!TBG_pypicongpu_output"
 
+
+
 #################################
 ## Section: Program Parameters ##
 #################################
 
 TBG_deviceDist="!TBG_devices_x !TBG_devices_y !TBG_devices_z"
 
-TBG_programParams="
-{{#moving_window_velocity}}
- --moving_window_velocity_X = {{{x}}} \
- --moving_window_velocity_Y = {{{y}}} \
- --moving_window_velocity_Z = {{{z}}} \
-{{/moving_window_velocity}}
- -d !TBG_deviceDist \
- -g !TBG_gridSize \
- -s !TBG_steps \
- !TBG_periodic \
- !TBG_plugins \
+TBG_programParams="-d !TBG_deviceDist \
+ -g !TBG_gridSize \
+ -s !TBG_steps \
+ !TBG_periodic \
+ !TBG_plugins \
+ {{#moving_window}}
+ !TBG_movingWindow \
+ !TBG_windowMovePoint \
+ {{#stop_iteration}}
+ !TBG_stopWindow \
+ {{/stop_iteration}}
+ {{/moving_window}}
  --versionOnce"
 
 # TOTAL number of devices

test/python/picongpu/compiling/simulation.py

@@ -6,7 +6,6 @@
 """
 
 from picongpu import pypicongpu, picmi
-
 from typeguard import typechecked
 
 import unittest
@@ -29,6 +28,17 @@ def get_grid(delta_x: float, delta_y: float, delta_z: float, n: int):
 
 
 class TestSimulation(unittest.TestCase):
+ def _set_up_sim(self, **kw):
+ grid = picmi.Cartesian3DGrid(
+ number_of_cells=[192, 2048, 12],
+ lower_bound=[0, 0, 0],
+ upper_bound=[3.40992e-5, 9.07264e-5, 2.1312e-6],
+ lower_boundary_conditions=["open", "open", "periodic"],
+ upper_boundary_conditions=["open", "open", "periodic"],
+ )
+ solver = picmi.ElectromagneticSolver(method="Yee", grid=grid)
+ return picmi.Simulation(time_step_size=1.39e-16, max_steps=int(2048), solver=solver, **kw)
+
  def test_minimal(self):
  """smallest possible example"""
  sim = pypicongpu.Simulation()
@@ -48,6 +58,7 @@ def test_minimal(self):
  sim.grid.boundary_condition_z = pypicongpu.grid.BoundaryCondition.PERIODIC
  sim.laser = None
  sim.custom_user_input = None
+ sim.moving_window = None
  sim.solver = pypicongpu.solver.YeeSolver()
  sim.init_manager = pypicongpu.species.InitManager()
 
@@ -56,6 +67,12 @@ def test_minimal(self):
  runner.build()
  runner.run()
 
+ def test_moving_window(self):
+ picmi_sim = self._set_up_sim(picongpu_moving_window_move_point=0.9)
+ runner = pypicongpu.Runner(picmi_sim)
+ runner.generate(printDirToConsole=True)
+ runner.build()
+
  def test_custom_template_dir(self):
  """may pass custom template dir"""
 

test/python/picongpu/quick/picmi/simulation.py

@@ -342,6 +342,24 @@ def test_operation_momentum(self):
  )
  self.assertAlmostEqual(1.491037242289643, mom_op.drift.gamma)
 
+ def test_moving_window(self):
+ """test that the user may set moving window"""
+ grid = picmi.Cartesian3DGrid(
+ number_of_cells=[192, 2048, 12],
+ lower_bound=[0, 0, 0],
+ upper_bound=[3.40992e-5, 9.07264e-5, 2.1312e-6],
+ lower_boundary_conditions=["open", "open", "periodic"],
+ upper_boundary_conditions=["open", "open", "periodic"],
+ )
+ solver = picmi.ElectromagneticSolver(method="Yee", grid=grid)
+ sim = picmi.Simulation(
+ time_step_size=1.39e-16, max_steps=int(2048), solver=solver, picongpu_moving_window_move_point=0.9
+ )
+ pypic = sim.get_as_pypicongpu()
+
+ self.assertAlmostEqual(pypic.moving_window.move_point, 0.9)
+ self.assertEqual(pypic.moving_window.stop_iteration, None)
+
  def test_ionization_electron_explicit(self):
  """electrons for ionization can be specified explicitly"""
  # note: the difficulty here is preserving the PICMI- -> PICMI-object

test/python/picongpu/quick/pypicongpu/simulation.py

@@ -45,6 +45,7 @@ def setUp(self):
  self.s.solver = solver.YeeSolver()
  self.s.laser = None
  self.s.custom_user_input = None
+ self.s.moving_window = None
  self.s.init_manager = species.InitManager()
 
  self.laser = GaussianLaser()