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Updated BEAVRS to work with MPI. Fixed errors in 'RectangularPrism' conversion

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This commit is contained in:
Adam Parler 2024-02-02 01:06:22 -08:00
parent ff50c1f1d2
commit 06300aefe3
9 changed files with 246 additions and 156 deletions
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4
BEAVRS/beavrs/assemblies.py
View file

@ -49,7 +49,7 @@ class Assemblies(object):
# Rectangular prism around the edge of the pinlattice # Rectangular prism around the edge of the pinlattice
self.lattice_surfs = \ self.lattice_surfs = \
openmc.model.rectangular_prism(17*c.pinPitch, 17*c.pinPitch) openmc.model.RectangularPrism(17*c.pinPitch, 17*c.pinPitch)
def _add_assembly_surfs(self,c): def _add_assembly_surfs(self,c):
@ -57,7 +57,7 @@ class Assemblies(object):
# Rectangular prism around the edge of the pinlattice # Rectangular prism around the edge of the pinlattice
self.assem_surfs = \ self.assem_surfs = \
openmc.model.rectangular_prism(c.latticePitch, c.latticePitch) openmc.model.RectangularPrism(c.latticePitch, c.latticePitch)
def _add_bpra_layouts(self): def _add_bpra_layouts(self):

57
BEAVRS/beavrs/builder.py
View file

@ -23,12 +23,12 @@ warnings.simplefilter('once', DeprecationWarning)
class BEAVRS(object): class BEAVRS(object):
""" Main BEAVRS class""" """ Main BEAVRS class"""
def __init__(self, S=None, SS=None, boron_ppm=None, is_symmetric=False, is_2d=False): def __init__(self, rank, S:int=-3, SS:int=-3, boron_ppm:float=-3.1, is_symmetric:bool=False, is_2d=False):
""" We build the entire geometry in memory in the constructor """ """ We build the entire geometry in memory in the constructor """
self.c = Constants(S,SS) self.c = Constants(rank,S,SS)
if boron_ppm == None: if boron_ppm < 0:
boron_ppm = self.c.nominalBoronPPM boron_ppm = self.c.nominalBoronPPM
self.is_symmetric = is_symmetric self.is_symmetric = is_symmetric
@ -113,17 +113,19 @@ class BEAVRS(object):
self.depletion_nuclides = nuclides self.depletion_nuclides = nuclides
def set_boron_ppm(self, ppm): def set_boron_ppm(self, ppm):
self.mats = openmc_materials(ppm=ppm) self.mats = openmc_materials(self.c, ppm=ppm)
def write_openmc_geometry(self): def write_openmc_geometry(self, rank):
self.openmc_geometry.export_to_xml() if rank == 0:
self.openmc_geometry.export_to_xml()
@property @property
def materials(self): def materials(self):
return openmc.Materials(self.mats.values()) return openmc.Materials(self.mats.values())
def write_openmc_materials(self): def write_openmc_materials(self, rank):
self.materials.export_to_xml() if rank == 0:
self.materials.export_to_xml()
@property @property
def plots(self): def plots(self):
@ -131,14 +133,16 @@ class BEAVRS(object):
plot_file = openmc.Plots(plots.plots) plot_file = openmc.Plots(plots.plots)
return plot_file return plot_file
def write_openmc_plots(self): def write_openmc_plots(self, rank):
self.plots.export_to_xml() if rank == 0:
self.plots.export_to_xml()
@property @property
def settings(self): def settings(self):
settings_file = openmc.Settings() settings_file = openmc.Settings()
settings_file.batches = self.settings_batches settings_file.batches = self.settings_batches
settings_file.inactive = self.settings_inactive settings_file.inactive = self.settings_inactive
# settings_file.verbosity = 6
settings_file.particles = self.settings_particles settings_file.particles = self.settings_particles
settings_file.confidence_intervals = self.settings_confidence settings_file.confidence_intervals = self.settings_confidence
if self.settings_volumes: if self.settings_volumes:
@ -151,7 +155,7 @@ class BEAVRS(object):
settings_file.dd_nodemap = self.dd_nodemap settings_file.dd_nodemap = self.dd_nodemap
settings_file.dd_allow_leakage = self.dd_truncate settings_file.dd_allow_leakage = self.dd_truncate
settings_file.dd_count_interactions = self.dd_interactions settings_file.dd_count_interactions = self.dd_interactions
settings_file.source = openmc.Source(space=openmc.stats.Box( settings_file.source = openmc.IndependentSource(space=openmc.stats.Box(
self.settings_sourcebox[:3], self.settings_sourcebox[3:])) self.settings_sourcebox[:3], self.settings_sourcebox[3:]))
output = {'tallies': self.settings_output_tallies, output = {'tallies': self.settings_output_tallies,
'summary': self.settings_summary} 'summary': self.settings_summary}
@ -163,8 +167,9 @@ class BEAVRS(object):
settings_file.seed = np.random.randint(1e14, dtype=np.uint64) settings_file.seed = np.random.randint(1e14, dtype=np.uint64)
return settings_file return settings_file
def write_openmc_settings(self): def write_openmc_settings(self, rank):
self.settings.export_to_xml() if rank == 0:
self.settings.export_to_xml()
@property @property
def common_tallies(self): def common_tallies(self):
@ -176,13 +181,14 @@ class BEAVRS(object):
tallies_file.append(tally) tallies_file.append(tally)
return tallies_file return tallies_file
def write_openmc_tallies(self): def write_openmc_tallies(self, rank):
self.common_tallies.export_to_xml() if rank == 0:
self.common_tallies.export_to_xml()
def set_S(self,val): def set_S(self,rank,val):
openmc.reset_auto_ids() openmc.reset_auto_ids()
self.c.set_S(val) self.c.set_S(rank,val)
self.pincells = Pincells(self.mats, self.c) self.pincells = Pincells(self.mats, self.c)
self.assemblies = Assemblies(self.pincells, self.mats, self.c) self.assemblies = Assemblies(self.pincells, self.mats, self.c)
@ -192,10 +198,10 @@ class BEAVRS(object):
self.openmc_geometry = openmc.Geometry(self.main_universe) self.openmc_geometry = openmc.Geometry(self.main_universe)
def set_SS(self,val): def set_SS(self,rank,val):
openmc.reset_auto_ids() openmc.reset_auto_ids()
self.c.set_SS(val) self.c.set_SS(rank,val)
self.pincells = Pincells(self.mats, self.c) self.pincells = Pincells(self.mats, self.c)
self.assemblies = Assemblies(self.pincells, self.mats, self.c) self.assemblies = Assemblies(self.pincells, self.mats, self.c)
@ -211,10 +217,10 @@ class BEAVRS(object):
return model return model
def export_xml(self,as_model:bool=False): def export_xml(self,rank, as_model:bool=False):
if as_model: if as_model and rank == 0:
self.export_model().export_to_model_xml() self.export_model().export_to_model_xml()
else: elif rank == 0:
self.export_model().export_to_xml() self.export_model().export_to_xml()
def set_volumes(self, samples:int=100000) -> None: def set_volumes(self, samples:int=100000) -> None:
@ -354,8 +360,9 @@ class BEAVRS(object):
""" Adds 207 depletion nuclides to fuel materials """ Adds 207 depletion nuclides to fuel materials
""" """
for name,mat in self.mats.items(): for nme,mat in self.mats.items():
if not name in ['Fuel 1.6%', 'Fuel 2.4%', 'Fuel 3.1%', 'Fuel 3.2%', 'Fuel 3.4%']: continue if not nme in ['Fuel 1.6%', 'Fuel 2.4%', 'Fuel 3.1%', 'Fuel 3.2%', 'Fuel 3.4%']:
continue
for nuc in self.depletion_nuclides: for nuc in self.depletion_nuclides:
if not nuc.name in mat._nuclides: if not nuc.name in mat._nuclides:
mat.add_nuclide(nuc, 1e-14) mat.add_nuclide(nuc, 1e-14)

32
BEAVRS/beavrs/constants.py
View file

@ -143,7 +143,7 @@ class Constants(object):
neutronShield_NEbot_SWtop = {'a': 1, 'b': math.tan(-math.pi/3 - math.pi/180), 'c': 0, 'd': 0} neutronShield_NEbot_SWtop = {'a': 1, 'b': math.tan(-math.pi/3 - math.pi/180), 'c': 0, 'd': 0}
neutronShield_NEtop_SWbot = {'a': 1, 'b': math.tan(-math.pi/6 + math.pi/180), 'c': 0, 'd': 0} neutronShield_NEtop_SWbot = {'a': 1, 'b': math.tan(-math.pi/6 + math.pi/180), 'c': 0, 'd': 0}
def __init__(self, S:int=15, SS:int=0) -> None: def __init__(self, rank, S:int=15, SS:int=0) -> None:
self.first_thru = True self.first_thru = True
@ -153,28 +153,31 @@ class Constants(object):
self.rcca_banks = self.rcca_bank_steps_withdrawn.keys() self.rcca_banks = self.rcca_bank_steps_withdrawn.keys()
## Keff=1 at approximately S 298 ## Keff=1 at approximately S 298
self.set_S(S) self.set_S(rank, S)
self.set_SS(SS) self.set_SS(rank, SS)
self.update_dict() self.update_dict()
def set_S(self, _S, print_data=True): def set_S(self, rank, _S, print_data=True):
if isinstance(_S,(float,int)): if isinstance(_S,(float,int)):
if _S < 0: if _S < 0:
print("Cannot have a negative S position. S set to 0")
self._S = 0 self._S = 0
if rank == 0:
print("Cannot have a negative S position. S set to 0")
elif _S > 573: elif _S > 573:
print("Cannot have a S position greater than 573. S set to 573")
self._S = 573 self._S = 573
if rank == 0:
print("Cannot have a S position greater than 573. S set to 573")
else: else:
self._S = int(_S) self._S = int(_S)
elif _S == None: elif _S == None:
self._S = 15 self._S = 15
print(f"Value supplied was 'None'. S Value set to default value of {self._S}") if rank == 0:
print(f"Value supplied was 'None'. S Value set to default value of {self._S}")
else: else:
raise ValueError raise ValueError
if print_data and not self.first_thru: if print_data and not self.first_thru and rank == 0:
print(" RCCA Positions") print(" RCCA Positions")
print(f" A: {self._A:3d} B: {self._B:3d} C: {self._C:3d} D: {self._D:3d}") print(f" A: {self._A:3d} B: {self._B:3d} C: {self._C:3d} D: {self._D:3d}")
print(f" SA: {self._SA:3d} SB: {self._SB:3d} SC: {self._SC:3d} SD: {self._SD:3d} SE: {self._SE:3d}") print(f" SA: {self._SA:3d} SB: {self._SB:3d} SC: {self._SC:3d} SD: {self._SD:3d} SE: {self._SE:3d}")
@ -200,23 +203,26 @@ class Constants(object):
def _D(self): def _D(self):
return max(0,228-self._S) return max(0,228-self._S)
def set_SS(self, _SS, print_data=True): def set_SS(self, rank, _SS, print_data=True):
if isinstance(_SS,(float,int)): if isinstance(_SS,(float,int)):
if _SS < 0: if _SS < 0:
print("Cannot have a negative SS position. SS set to 0")
self._SS = 0 self._SS = 0
if rank == 0:
print("Cannot have a negative SS position. SS set to 0")
elif _SS > 228: elif _SS > 228:
print("Cannot have a SS position greater than 228. SS set to 228")
self._SS = 228 self._SS = 228
if rank == 0:
print("Cannot have a SS position greater than 228. SS set to 228")
else: else:
self._SS = int(_SS) self._SS = int(_SS)
elif _SS == None: elif _SS == None:
self._SS = 0 self._SS = 0
print(f"Value supplied was 'None'. SS Value set to default value of {self._SS}") if rank == 0:
print(f"Value supplied was 'None'. SS Value set to default value of {self._SS}")
else: else:
raise ValueError raise ValueError
if print_data and not self.first_thru: if print_data and not self.first_thru and rank == 0:
print(" RCCA Positions") print(" RCCA Positions")
print(f" A: {self._A:3d} B: {self._B:3d} C: {self._C:3d} D: {self._D:3d}") print(f" A: {self._A:3d} B: {self._B:3d} C: {self._C:3d} D: {self._D:3d}")
print(f" SA: {self._SA:3d} SB: {self._SB:3d} SC: {self._SC:3d} SD: {self._SD:3d} SE: {self._SE:3d}") print(f" SA: {self._SA:3d} SB: {self._SB:3d} SC: {self._SC:3d} SD: {self._SD:3d} SE: {self._SE:3d}")

25
BEAVRS/beavrs/corebuilder.py
View file

@ -113,21 +113,10 @@ class InfinitePinCell(openmc.Universe):
if i == 0: if i == 0:
# this is the first ring # this is the first ring
if box: cell = openmc.Cell(name=label, fill=fill)
# this first ring is a box ring cell.region = -radius
if not rot is None: cell.rotation = rot
cell = openmc.Cell(name=label, fill=fill) self.add_cell(cell)
cell.region = radius
if not rot is None: cell.rotation = rot
self.add_cell(cell)
else:
# this first ring is a regular cylinder
cell = openmc.Cell(name=label, fill=fill)
cell.region = -radius
if not rot is None: cell.rotation = rot
self.add_cell(cell)
else: else:
# this is not the first ring # this is not the first ring
@ -174,7 +163,7 @@ class InfinitePinCell(openmc.Universe):
if self.box[-1]: if self.box[-1]:
# the last one is a box, we need 4 outer cells to infinity # the last one is a box, we need 4 outer cells to infinity
cell = openmc.Cell(name=label, fill=self.fills[-1]) cell = openmc.Cell(name=label, fill=self.fills[-1])
cell.region = ~radius cell.region = +radius
if not self.rot[-1] is None: cell.rotation = self.rot[-1] if not self.rot[-1] is None: cell.rotation = self.rot[-1]
self.add_cell(cell) self.add_cell(cell)
@ -251,13 +240,13 @@ class AxialPinCell(openmc.Universe):
current = self.outermost.radii[-1].coefficients['r'] current = self.outermost.radii[-1].coefficients['r']
else: else:
# current is a box # current is a box
current = self.outermost.radii[-1][-1]._surface.y0 current = self.outermost.radii[-1].max_x2.y0
if isinstance(pincell.radii[-1], openmc.ZCylinder): if isinstance(pincell.radii[-1], openmc.ZCylinder):
# new one is a cylinder # new one is a cylinder
new = pincell.radii[-1].coefficients['r'] new = pincell.radii[-1].coefficients['r']
else: else:
# new one is a box # new one is a box
new = self.outermost.radii[-1][-1]._surface.y0 new = self.outermost.radii[-1].max_x2.y0
if new > current: if new > current:
self.outermost = pincell self.outermost = pincell

6
BEAVRS/beavrs/pincells.py
View file

@ -48,13 +48,13 @@ class Pincells(object):
# Rectangular prisms for grid spacers # Rectangular prisms for grid spacers
grid_surfs_tb = \ grid_surfs_tb = \
openmc.model.rectangular_prism(c.rodGridSide_tb, c.rodGridSide_tb) openmc.model.RectangularPrism(c.rodGridSide_tb, c.rodGridSide_tb)
grid_surfs_i = \ grid_surfs_i = \
openmc.model.rectangular_prism(c.rodGridSide_i, c.rodGridSide_i) openmc.model.RectangularPrism(c.rodGridSide_i, c.rodGridSide_i)
# Rectangular prisms for lattice grid sleeves # Rectangular prisms for lattice grid sleeves
grid_surfs_ass = \ grid_surfs_ass = \
openmc.model.rectangular_prism(c.gridstrapSide, c.gridstrapSide) openmc.model.RectangularPrism(c.gridstrapSide, c.gridstrapSide)
# Grids axial surfaces # Grids axial surfaces

4
BEAVRS/beavrs/univzero.py
View file

@ -19,7 +19,7 @@ class UniverseZero(openmc.Universe):
self._add_outer_rings(constants) self._add_outer_rings(constants)
self._add_shield_panels(constants) self._add_shield_panels(constants)
self._add_core_barrel(constants) self._add_core_barrel(constants)
self._create_main_universe() self._create_main_universe(constants)
def _add_outer_rings(self,c): def _add_outer_rings(self,c):
@ -140,7 +140,7 @@ class UniverseZero(openmc.Universe):
(-self.s_coreBarrelIR & -self.s_upperBound & +self.s_lowerBound) (-self.s_coreBarrelIR & -self.s_upperBound & +self.s_lowerBound)
def _create_main_universe(self): def _create_main_universe(self,c):
""" Creates the main BEAVRS universe """ """ Creates the main BEAVRS universe """
# For 3D problem, add full core to main universe # For 3D problem, add full core to main universe

53
BEAVRS/extract-assm.ipynb
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File diff suppressed because one or more lines are too long

67
BEAVRS/extract-pin.ipynb
View file

@ -48,14 +48,17 @@
"name": "stdout", "name": "stdout",
"output_type": "stream", "output_type": "stream",
"text": [ "text": [
"Value supplied was 'None'. S Value set to default value of 15\n", "Cannot have a negative S position. S set to 0\n",
"Value supplied was 'None'. SS Value set to default value of 0\n" "Cannot have a negative SS position. SS set to 0\n",
" RCCA Positions\n",
" A: 228 B: 228 C: 228 D: 228\n",
" SA: 228 SB: 228 SC: 228 SD: 228 SE: 228\n"
] ]
} }
], ],
"source": [ "source": [
"# Instantiate a BEAVRS object from the mit-crpg/PWR_benchmarks repository\n", "# Instantiate a BEAVRS object from the mit-crpg/PWR_benchmarks repository\n",
"b = beavrs.builder.BEAVRS()" "b = beavrs.builder.BEAVRS(0)"
] ]
}, },
{ {
@ -144,7 +147,7 @@
"name": "stdout", "name": "stdout",
"output_type": "stream", "output_type": "stream",
"text": [ "text": [
"OrderedDict([(52, Cell\n", "{52: Cell\n",
"\tID =\t52\n", "\tID =\t52\n",
"\tName =\tFuel rod active region - 1.6% enr radial 0: Fuel 1.6%\n", "\tName =\tFuel rod active region - 1.6% enr radial 0: Fuel 1.6%\n",
"\tFill =\tMaterial 9\n", "\tFill =\tMaterial 9\n",
@ -153,7 +156,7 @@
"\tTemperature =\tNone\n", "\tTemperature =\tNone\n",
"\tTranslation =\tNone\n", "\tTranslation =\tNone\n",
"\tVolume =\tNone\n", "\tVolume =\tNone\n",
"), (53, Cell\n", ", 53: Cell\n",
"\tID =\t53\n", "\tID =\t53\n",
"\tName =\tFuel rod active region - 1.6% enr radial 1: Helium\n", "\tName =\tFuel rod active region - 1.6% enr radial 1: Helium\n",
"\tFill =\tMaterial 5\n", "\tFill =\tMaterial 5\n",
@ -162,7 +165,7 @@
"\tTemperature =\tNone\n", "\tTemperature =\tNone\n",
"\tTranslation =\tNone\n", "\tTranslation =\tNone\n",
"\tVolume =\tNone\n", "\tVolume =\tNone\n",
"), (54, Cell\n", ", 54: Cell\n",
"\tID =\t54\n", "\tID =\t54\n",
"\tName =\tFuel rod active region - 1.6% enr radial outer: Zircaloy 4\n", "\tName =\tFuel rod active region - 1.6% enr radial outer: Zircaloy 4\n",
"\tFill =\tMaterial 7\n", "\tFill =\tMaterial 7\n",
@ -171,7 +174,7 @@
"\tTemperature =\tNone\n", "\tTemperature =\tNone\n",
"\tTranslation =\tNone\n", "\tTranslation =\tNone\n",
"\tVolume =\tNone\n", "\tVolume =\tNone\n",
")])\n" "}\n"
] ]
} }
], ],
@ -203,7 +206,7 @@
" )\n", " )\n",
"water_cell = openmc.Cell(name='Water',\n", "water_cell = openmc.Cell(name='Water',\n",
" fill=b.mats['Borated Water'],\n", " fill=b.mats['Borated Water'],\n",
" region=+fuel_clad_OR & pin_sides\n", " region=+fuel_clad_OR & -pin_sides\n",
" )" " )"
] ]
}, },
@ -394,7 +397,7 @@
"outputs": [ "outputs": [
{ {
"data": { "data": {
"image/png": 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"image/png": 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"text/plain": [ "text/plain": [
"<IPython.core.display.Image object>" "<IPython.core.display.Image object>"
] ]
@ -548,10 +551,11 @@
" | The OpenMC Monte Carlo Code\n", " | The OpenMC Monte Carlo Code\n",
" Copyright | 2011-2023 MIT, UChicago Argonne LLC, and contributors\n", " Copyright | 2011-2023 MIT, UChicago Argonne LLC, and contributors\n",
" License | https://docs.openmc.org/en/latest/license.html\n", " License | https://docs.openmc.org/en/latest/license.html\n",
" Version | 0.13.3\n", " Version | 0.14.0\n",
" Git SHA1 | 50e39a4e20dc9e0f3d7ccf07333f6a5e6c797c8c\n", " Git SHA1 | e1a8ee7794b441c992426f17fafe216391cbba83\n",
" Date/Time | 2023-11-16 00:00:00\n", " Date/Time | 2024-02-02 00:48:52\n",
" OpenMP Threads | 4\n", " MPI Processes | 2\n",
" OpenMP Threads | 2\n",
"\n", "\n",
" Reading settings XML file...\n", " Reading settings XML file...\n",
" Reading cross sections XML file...\n", " Reading cross sections XML file...\n",
@ -760,21 +764,21 @@
"\n", "\n",
" =======================> TIMING STATISTICS <=======================\n", " =======================> TIMING STATISTICS <=======================\n",
"\n", "\n",
" Total time for initialization = 2.0384e+00 seconds\n", " Total time for initialization = 2.3583e+00 seconds\n",
" Reading cross sections = 2.0227e+00 seconds\n", " Reading cross sections = 2.3309e+00 seconds\n",
" Total time in simulation = 9.1420e+00 seconds\n", " Total time in simulation = 1.0739e+01 seconds\n",
" Time in transport only = 9.0999e+00 seconds\n", " Time in transport only = 1.0461e+01 seconds\n",
" Time in inactive batches = 5.5386e-01 seconds\n", " Time in inactive batches = 6.4227e-01 seconds\n",
" Time in active batches = 8.5882e+00 seconds\n", " Time in active batches = 1.0096e+01 seconds\n",
" Time synchronizing fission bank = 1.1552e-02 seconds\n", " Time synchronizing fission bank = 2.4140e-01 seconds\n",
" Sampling source sites = 1.0190e-02 seconds\n", " Sampling source sites = 6.2924e-03 seconds\n",
" SEND/RECV source sites = 1.2995e-03 seconds\n", " SEND/RECV source sites = 1.6094e-03 seconds\n",
" Time accumulating tallies = 3.2846e-03 seconds\n", " Time accumulating tallies = 1.4377e-02 seconds\n",
" Time writing statepoints = 7.0253e-03 seconds\n", " Time writing statepoints = 9.8511e-03 seconds\n",
" Total time for finalization = 2.1724e-04 seconds\n", " Total time for finalization = 1.9690e-04 seconds\n",
" Total time elapsed = 1.1191e+01 seconds\n", " Total time elapsed = 1.3108e+01 seconds\n",
" Calculation Rate (inactive) = 18055.2 particles/second\n", " Calculation Rate (inactive) = 15569.8 particles/second\n",
" Calculation Rate (active) = 16301.5 particles/second\n", " Calculation Rate (active) = 13866.5 particles/second\n",
"\n", "\n",
" ============================> RESULTS <============================\n", " ============================> RESULTS <============================\n",
"\n", "\n",
@ -789,7 +793,7 @@
], ],
"source": [ "source": [
"# Run OpenMC with 2 MPI processes\n", "# Run OpenMC with 2 MPI processes\n",
"openmc.run()" "openmc.run(mpi_args=['mpiexec', '-n', '2'], threads=2)"
] ]
}, },
{ {
@ -827,7 +831,8 @@
" \tFilters =\tCellFilter, EnergyFilter\n", " \tFilters =\tCellFilter, EnergyFilter\n",
" \tNuclides =\tO16 O17 U234 U235 U238 U236\n", " \tNuclides =\tO16 O17 U234 U235 U238 U236\n",
" \tScores =\t['scatter', 'absorption']\n", " \tScores =\t['scatter', 'absorption']\n",
" \tEstimator =\ttracklength}" " \tEstimator =\ttracklength\n",
" \tMultiply dens. =\tTrue}"
] ]
}, },
"execution_count": 21, "execution_count": 21,
@ -1209,7 +1214,7 @@
"name": "python", "name": "python",
"nbconvert_exporter": "python", "nbconvert_exporter": "python",
"pygments_lexer": "ipython3", "pygments_lexer": "ipython3",
"version": "3.11.6" "version": "3.12.1"
} }
}, },
"nbformat": 4, "nbformat": 4,

154
BEAVRS/make_beavrs.py
View file

@ -5,6 +5,17 @@ import openmc.deplete
from beavrs.builder import BEAVRS from beavrs.builder import BEAVRS
import argparse, json, openmc, os, shutil, sys import argparse, json, openmc, os, shutil, sys
import matplotlib.pyplot as plt import matplotlib.pyplot as plt
try:
from mpi4py import MPI
except ModuleNotFoundError:
print("Cannot use MPI")
try:
comm = MPI.COMM_WORLD
rank = comm.Get_rank()
except NameError:
comm = None
rank = 0
parser = argparse.ArgumentParser(description="Program to make BEAVRS reactor and run" \ parser = argparse.ArgumentParser(description="Program to make BEAVRS reactor and run" \
" simulations with resulting geometry") " simulations with resulting geometry")
@ -24,13 +35,16 @@ parser.add_argument('--shutdown', action='store_true', default=False,
help='Set reactor to be in shutdown, all control rods fully inserted.') help='Set reactor to be in shutdown, all control rods fully inserted.')
args = parser.parse_args() args = parser.parse_args()
try: if rank == 0:
os.mkdir(os.path.dirname(os.path.realpath(__file__)) + '/build') try:
except OSError: pass os.mkdir(os.path.dirname(os.path.realpath(__file__)) + '/build')
except OSError: pass
comm.Barrier()
os.chdir(os.path.dirname(os.path.realpath(__file__)) + '/build') os.chdir(os.path.dirname(os.path.realpath(__file__)) + '/build')
def no_overwrite(filename): def no_overwrite(rank, filename):
if os.path.isfile(filename): if os.path.isfile(filename) and rank == 0:
j = 0 j = 0
new_filepath = filename*1 new_filepath = filename*1
path, new_name = os.path.split(new_filepath) path, new_name = os.path.split(new_filepath)
@ -47,14 +61,16 @@ def no_overwrite(filename):
print(f"Backed up file {filename} to {new_filepath}") print(f"Backed up file {filename} to {new_filepath}")
os.replace(filename, new_filepath) os.replace(filename, new_filepath)
def run_loop(val): comm.Barrier()
b.set_S(val)
def run_loop(rank, val):
b.set_S(rank, val)
return b.export_model() return b.export_model()
if args.shutdown: if args.shutdown:
b = BEAVRS(573, 228, is_symmetric=args.is_symmetric, is_2d=args.is_2d) b = BEAVRS(rank, 573, 228, is_symmetric=args.is_symmetric, is_2d=args.is_2d)
else: else:
b = BEAVRS(args.rod_loc, 0, is_symmetric=args.is_symmetric, is_2d=args.is_2d) b = BEAVRS(rank, args.rod_loc, 0, is_symmetric=args.is_symmetric, is_2d=args.is_2d)
# openmc.calculate_volumes() # openmc.calculate_volumes()
# openmc.plot_geometry() # openmc.plot_geometry()
@ -68,11 +84,13 @@ if args.optimal:
for p in particles: for p in particles:
for i in inactive: for i in inactive:
for a in active: for a in active:
print(f"Particles: {p} Inactive Cycles: {i} Active Cycles: {a}\n\n") if rank == 0:
print(f"Particles: {p} Inactive Cycles: {i} Active Cycles: {a}\n\n")
b.set_params(batches=i+a,inactive=i,particles=p) b.set_params(batches=i+a,inactive=i,particles=p)
b.export_xml() b.export_xml(rank)
openmc.run() openmc.run()
print("\n\n\n") if rank == 0:
print("\n\n\n")
sys.stdout.flush() sys.stdout.flush()
############################################################################### ###############################################################################
@ -93,10 +111,11 @@ elif args.run_deplete:
chain_file = "/opt/xdata/endfb-vii.1-hdf5/chain_endfb71_pwr.xml" chain_file = "/opt/xdata/endfb-vii.1-hdf5/chain_endfb71_pwr.xml"
try: if rank == 0:
os.makedirs('depletion_results') try:
except FileExistsError: os.makedirs('depletion_results')
pass except FileExistsError:
pass
## setting the system linear power [W] ## setting the system linear power [W]
"""powers = [45.50,91.01,136.51,182.02,227.52,273.03,324.45,324.45,273.03,273.03,227.52,182.02,136.51,91.01,45.50] """powers = [45.50,91.01,136.51,182.02,227.52,273.03,324.45,324.45,273.03,273.03,227.52,182.02,136.51,91.01,45.50]
@ -114,7 +133,8 @@ elif args.run_deplete:
## setting the transport operator ## setting the transport operator
model = b.export_model() model = b.export_model()
openmc.plot_geometry() comm.Barrier()
# openmc.plot_geometry()
operator = openmc.deplete.CoupledOperator(model, chain_file, operator = openmc.deplete.CoupledOperator(model, chain_file,
#diff_burnable_mats=False, normalization_mode='fission-q', #diff_burnable_mats=False, normalization_mode='fission-q',
fission_q=serpent_fission_q, fission_yield_mode="average") fission_q=serpent_fission_q, fission_yield_mode="average")
@ -124,56 +144,114 @@ elif args.run_deplete:
integrator = openmc.deplete.SILEQIIntegrator(operator, time_steps, powers, timestep_units='d') integrator = openmc.deplete.SILEQIIntegrator(operator, time_steps, powers, timestep_units='d')
integrator.integrate() integrator.integrate()
model.materials = openmc.deplete.Results('depletion_results.h5').export_to_materials(1)
model.export_to_xml()
""" """
print(time_steps) if rank == 0:
print(time_steps)
i = 0 i = 0
for power, time_step in zip(powers, time_steps): for power, time_step in zip(powers, time_steps):
print(f'Current loop info: {power} {time_step}') if rank == 0:
print(f'Current loop info: {power} {time_step}')
## setting the transport operator ## setting the transport operator
model = b.export_model() model = b.export_model()
comm.Barrier()
openmc.plot_geometry()
operator = openmc.deplete.CoupledOperator(model, chain_file, operator = openmc.deplete.CoupledOperator(model, chain_file,
#diff_burnable_mats=False, normalization_mode='fission-q', #diff_burnable_mats=False, normalization_mode='fission-q',
fission_q=serpent_fission_q, fission_yield_mode="average") fission_q=serpent_fission_q, fission_yield_mode="average")
## depleting using a first-order predictor algorithm ## depleting using a first-order predictor algorithm
integrator = openmc.deplete.PredictorIntegrator(operator, [time_step], [power], timestep_units='d') ## Working algorithms: CELI, CECM, SILEQI
integrator = openmc.deplete.SILEQIIntegrator(operator, time_steps, powers, timestep_units='d')
integrator.integrate() integrator.integrate()
results = openmc.deplete.Results('depletion_results.h5')
time, n_Xe135 = results.get_atoms('1', 'Xe135')
print(n_Xe135)
days = 24*60*60
plt.plot(time/days, n_Xe135)
plt.xlabel('Time [d]')
plt.ylabel('Xe135 [atoms]')
filename = f'depletion_results/depletion_results_t{i}.h5' filename = f'depletion_results/depletion_results_t{i}.h5'
no_overwrite(filename) no_overwrite(rank, filename)
os.replace('depletion_results.h5', filename) os.replace('depletion_results.h5', filename)
shutil.copy2('materials.xml', f'depletion_results/materials_{i}.xml') shutil.copy2('materials.xml', f'depletion_results/materials_{i}.xml')
i += 1 i += 1
# Get materials at the end of the last simulation
model.materials = results.export_to_materials(len(time_steps))
""" """
results = openmc.deplete.Results('depletion_results.h5')
# Get materials at the end of the last simulation
if rank == 0:
model.materials = results.export_to_materials(len(time_steps))
model.export_to_xml()
comm.Barrier()
# Obtain K_eff as a function of time
time, keff = results.get_keff(time_units='d')
n_U235 = 0
Xe_capture = 0
n_Xe135 = 0
tmp = [[],[],[]]
# ['Fuel 1.6%' 'Fuel 2.4%' 'Fuel 3.1%' 'Fuel 3.2%' 'Fuel 3.4%']
for mat in b.mats:
# Obtain U235 concentration as a function of time
_, tmp[0] = results.get_atoms(mat, 'U235')
# Obtain Xe135 capture reaction rate as a function of time
_, tmp[1] = results.get_reaction_rate(mat, 'Xe135', '(n,gamma)')
# Obtain U235 concentration as a function of time
_, tmp[2] = results.get_atoms(mat, 'Xe135')
n_U235 += tmp[0]
Xe_capture += tmp[1]
n_Xe135 += tmp[2]
#######################################################################
# Generate plots
#######################################################################
fig, ax = plt.subplots()
ax.errorbar(time,keff[:,0], keff[:,1], label="k-effective")
ax.set_xlabel("Time [d]")
ax.set_ylabel("Keff")
if rank == 0:
plt.savefig("k-effective.png", dpi=150)
plt.draw()
fig, ax = plt.subplots()
ax.plot(time, n_U235, label="U235")
ax.set_xlabel("Time [d]")
ax.set_ylabel("U235 atoms")
if rank == 0:
plt.savefig("U235", dpi=150)
plt.draw()
fig, ax = plt.subplots()
ax.plot(time, Xe_capture, label="Xe135 capture")
ax.set_xlabel("Time [d]")
ax.set_ylabel("Xe135 capture rate")
if rank == 0:
plt.savefig("Xe135_capture", dpi=150)
plt.draw()
fig, ax = plt.subplots()
ax.plot(time, n_Xe135, label="Xe135")
ax.set_xlabel("Time [d]")
ax.set_ylabel("Xe135 atoms")
if rank == 0:
plt.savefig("Xe135", dpi=150)
plt.draw()
elif args.run: elif args.run:
b.set_params(batches=350,inactive=50,particles=20000) b.set_params(batches=350,inactive=50,particles=20000)
"""rod_loc, guess_list, result = openmc.search_for_keff(run_loop, initial_guess=10, target=1.0, """rod_loc, guess_list, result = openmc.search_for_keff(run_loop, initial_guess=10, target=1.0,
tol=6e-4, print_iterations=True)""" tol=6e-4, print_iterations=True, run_args=(rank))"""
b.export_xml() b.export_xml(rank)
openmc.run() openmc.run()
else: else:
b.set_params(batches=350,inactive=50,particles=20000) b.set_params(batches=350,inactive=50,particles=20000)
b.export_xml() b.export_xml(rank)