Revise to use MPI OpenDeplete

This modifies the depletion codes to use the MPI branch of OpenDeplete.
In addition, memory utilization was optimized such that the SMR
simulation can actually be run.

2x2-periodic/build-depleted.py

@@ -17,7 +17,7 @@ radius = 0.39218
 height = 5.
 
 # Count the number of instances for each cell and material
-openmc_geometry.determine_paths()
+num_instances = opendeplete.lomem_num_instances(openmc_geometry)
 
 # Extract all cells filled by a fuel material
 fuel_cells = openmc_geometry.get_cells_by_name(
@@ -25,17 +25,21 @@ fuel_cells = openmc_geometry.get_cells_by_name(
 
 # Assign distribmats for each material
 for cell in fuel_cells:
-    new_materials = []
+    old_fill = cell.fill.clone()
 
-    for i in range(cell.num_instances):
-        new_materials.append(cell.fill.clone())
+    n = num_instances[cell.id]
+    cell.fill = [old_fill.clone() for i in range(n)]
 
-        # Store volume of burnable fuel rods cells
-        new_material.volume = np.pi * radius**2 * height
-        new_material.depletable = True
-        new_material.temperature = 300
+    for i in range(n):
+        cell.fill[i].volume =  np.pi * radius**2 * height
+        cell.fill[i].depletable = True
+        cell.fill[i].temperature = 300.0
 
-    cell.fill = new_materials
+# Set temperature for all cells
+cells = openmc_geometry.get_all_cells()
+
+for cell_id in cells:
+    cells[cell_id].temperature = 300.0
 
 # Create dt vector for 1 month with 5 day timesteps
 dt1 = 5*24*60*60  # 5 days
@@ -45,7 +49,7 @@ dt = np.repeat([dt1], N)
 
 # Create settings variable
 settings = opendeplete.OpenMCSettings()
-settings.openmc_call = ["mpirun", "openmc"]
+settings.openmc_call = "openmc"
 settings.particles = 120000
 settings.batches = 20
 settings.inactive = 10
@@ -61,4 +65,4 @@ settings.output_dir = 'depleted'
 op = opendeplete.OpenMCOperator(openmc_geometry, settings)
 
 # Perform simulation using the MCNPX/MCNP6 algorithm
-opendeplete.integrate(op, opendeplete.ce_cm_c1)
+opendeplete.cecm(op)

2x2-reflector/build-depleted.py

@@ -17,7 +17,7 @@ radius = 0.39218
 height = 5.
 
 # Count the number of instances for each cell and material
-openmc_geometry.determine_paths()
+num_instances = opendeplete.lomem_num_instances(openmc_geometry)
 
 # Extract all cells filled by a fuel material
 fuel_cells = openmc_geometry.get_cells_by_name(
@@ -25,17 +25,21 @@ fuel_cells = openmc_geometry.get_cells_by_name(
 
 # Assign distribmats for each material
 for cell in fuel_cells:
-    new_materials = []
+    old_fill = cell.fill.clone()
 
-    for i in range(cell.num_instances):
-        new_materials.append(cell.fill.clone())
+    n = num_instances[cell.id]
+    cell.fill = [old_fill.clone() for i in range(n)]
 
-        # Store volume of burnable fuel rods cells
-        new_material.volume = np.pi * radius**2 * height
-        new_material.depletable = True
-        new_material.temperature = 300
+    for i in range(n):
+        cell.fill[i].volume =  np.pi * radius**2 * height
+        cell.fill[i].depletable = True
+        cell.fill[i].temperature = 300.0
 
-    cell.fill = new_materials
+# Set temperature for all cells
+cells = openmc_geometry.get_all_cells()
+
+for cell_id in cells:
+    cells[cell_id].temperature = 300.0
 
 # Create dt vector for 1 month with 5 day timesteps
 dt1 = 5*24*60*60  # 5 days
@@ -45,7 +49,7 @@ dt = np.repeat([dt1], N)
 
 # Create settings variable
 settings = opendeplete.OpenMCSettings()
-settings.openmc_call = ["mpirun", "openmc"]
+settings.openmc_call = "openmc"
 settings.particles = 120000
 settings.batches = 30
 settings.inactive = 20
@@ -61,4 +65,4 @@ settings.output_dir = 'depleted'
 op = opendeplete.OpenMCOperator(openmc_geometry, settings)
 
 # Perform simulation using the MCNPX/MCNP6 algorithm
-opendeplete.integrate(op, opendeplete.ce_cm_c1)
+opendeplete.cecm(op)

assembly/build-depleted.py

@@ -17,7 +17,7 @@ radius = 0.39218
 height = 5.
 
 # Count the number of instances for each cell and material
-openmc_geometry.determine_paths()
+num_instances = opendeplete.lomem_num_instances(openmc_geometry)
 
 # Extract all cells filled by a fuel material
 fuel_cells = openmc_geometry.get_cells_by_name(
@@ -25,17 +25,21 @@ fuel_cells = openmc_geometry.get_cells_by_name(
 
 # Assign distribmats for each material
 for cell in fuel_cells:
-    new_materials = []
+    old_fill = cell.fill.clone()
 
-    for i in range(cell.num_instances):
-        new_materials.append(cell.fill.clone())
+    n = num_instances[cell.id]
+    cell.fill = [old_fill.clone() for i in range(n)]
 
-        # Store volume of burnable fuel rods cells
-        new_material.volume = np.pi * radius**2 * height
-        new_material.depletable = True
-        new_material.temperature = 300
+    for i in range(n):
+        cell.fill[i].volume =  np.pi * radius**2 * height
+        cell.fill[i].depletable = True
+        cell.fill[i].temperature = 300.0
 
-    cell.fill = new_materials
+# Set temperature for all cells
+cells = openmc_geometry.get_all_cells()
+
+for cell_id in cells:
+    cells[cell_id].temperature = 300.0
 
 # Create dt vector for 1 month with 5 day timesteps
 dt1 = 5*24*60*60  # 5 days
@@ -45,7 +49,7 @@ dt = np.repeat([dt1], N)
 
 # Create settings variable
 settings = opendeplete.OpenMCSettings()
-settings.openmc_call = ["mpirun", "openmc"]
+settings.openmc_call = "openmc"
 settings.particles = 30000
 settings.batches = 20
 settings.inactive = 10
@@ -61,4 +65,4 @@ settings.output_dir = 'depleted'
 op = opendeplete.OpenMCOperator(openmc_geometry, settings)
 
 # Perform simulation using the MCNPX/MCNP6 algorithm
-opendeplete.integrate(op, opendeplete.ce_cm_c1)
+opendeplete.cecm(op)

pin-cell/build-depleted.py

@@ -17,12 +17,7 @@ radius = 0.39218
 height = 5.
 
 # Count the number of instances for each cell and material
-openmc_geometry.determine_paths()
-
-# Determine the maximum material ID
-max_material_id = 0
-for material in openmc_geometry.get_all_materials().values():
-    max_material_id = max(max_material_id, material.id)
+num_instances = opendeplete.lomem_num_instances(openmc_geometry)
 
 # Extract all cells filled by a fuel material
 fuel_cells = openmc_geometry.get_cells_by_name(
@@ -30,20 +25,21 @@ fuel_cells = openmc_geometry.get_cells_by_name(
 
 # Assign distribmats for each material
 for cell in fuel_cells:
-    new_materials = []
+    old_fill = cell.fill.clone()
 
-    for i in range(cell.num_instances):
-        new_material = copy.deepcopy(cell.fill)
-        new_material.id = max_material_id + 1
-        max_material_id += 1
-        new_materials.append(new_material)
+    n = num_instances[cell.id]
+    cell.fill = [old_fill.clone() for i in range(n)]
 
-        # Store volume of burnable fuel rods cells
-        new_material.volume = np.pi * radius**2 * height
-        new_material.depletable = True
-        new_material.temperature = 300
+    for i in range(n):
+        cell.fill[i].volume =  np.pi * radius**2 * height
+        cell.fill[i].depletable = True
+        cell.fill[i].temperature = 300.0
 
-    cell.fill = new_materials
+# Set temperature for all cells
+cells = openmc_geometry.get_all_cells()
+
+for cell_id in cells:
+    cells[cell_id].temperature = 300.0
 
 # Create dt vector for 1 month with 5 day timesteps
 dt1 = 5*24*60*60  # 5 days
@@ -53,7 +49,7 @@ dt = np.repeat([dt1], N)
 
 # Create settings variable
 settings = opendeplete.OpenMCSettings()
-settings.openmc_call = ["mpirun", "openmc"]
+settings.openmc_call = "openmc"
 settings.particles = 10000
 settings.batches = 20
 settings.inactive = 10
@@ -69,4 +65,4 @@ settings.output_dir = 'depleted'
 op = opendeplete.OpenMCOperator(openmc_geometry, settings)
 
 # Perform simulation using the MCNPX/MCNP6 algorithm
-opendeplete.integrate(op, opendeplete.ce_cm_c1)
+opendeplete.cecm(op)

smr/build-depleted.py

@@ -19,7 +19,7 @@ radius = 0.39218
 height = 200.
 
 # Count the number of instances for each cell and material
-geometry.determine_paths()
+num_instances = opendeplete.lomem_num_instances(geometry)
 
 # Extract all cells filled by a fuel material
 fuel_cells = geometry.get_cells_by_name(
@@ -43,17 +43,15 @@ fuel_cells.extend(geometry.get_cells_by_name(
 
 # Assign distribmats for each material
 for cell in fuel_cells:
-    new_materials = []
+    old_fill = cell.fill.clone()
 
-    for i in range(cell.num_instances):
-        new_materials.append(cell.fill.clone())
+    n = num_instances[cell.id]
+    cell.fill = [old_fill.clone() for i in range(n)]
 
-        # Store volume of burnable fuel rods cells
-        new_material.volume = np.pi * radius**2 * height
-        new_material.depletable = True
-        new_material.temperature = 300
-
-    cell.fill = new_materials
+    for i in range(n):
+        cell.fill[i].volume =  np.pi * radius**2 * height
+        cell.fill[i].depletable = True
+        cell.fill[i].temperature = 300.0
 
 # Create dt vector for 1 month with 5 day timesteps
 dt1 = 5*24*60*60  # 5 days
@@ -63,7 +61,7 @@ dt = np.repeat([dt1], N)
 
 # Create settings variable
 settings = opendeplete.OpenMCSettings()
-settings.openmc_call = ["mpirun", "openmc"]
+settings.openmc_call = "openmc"
 settings.particles = 1000000
 settings.batches = 200
 settings.inactive = 100
@@ -81,4 +79,4 @@ settings.output_dir = 'depleted'
 op = opendeplete.OpenMCOperator(geometry, settings)
 
 # Perform simulation using the MCNPX/MCNP6 algorithm
-opendeplete.integrate(op, opendeplete.ce_cm_c1)
+opendeplete.cecm(op)