Dokken/change of var

pyproject.toml

@@ -13,7 +13,7 @@ description = "Finite element simulations of hydrogen transport"
 readme = "README/md"
 requires-python = ">=3.9"
 license = { file = "LICENSE" }
-dependencies = ["tqdm", "scifem>=0.2.8"]
+dependencies = ["tqdm", "scifem>=0.2.13"]
 classifiers = [
     "Natural Language :: English",
     "Topic :: Scientific/Engineering",

src/festim/hydrogen_transport_problem.py

@@ -8,7 +8,7 @@
 import tqdm.autonotebook
 import ufl
 from dolfinx import fem
-from scifem import NewtonSolver
+from scifem import BlockedNewtonSolver
 
 import festim.boundary_conditions
 import festim.problem
@@ -1209,18 +1209,32 @@ def mixed_term(u, v, n):
         self.forms = dolfinx.fem.form(
             [subdomain.F for subdomain in self.volume_subdomains],
             entity_maps=entity_maps,
+            jit_options={
+                "cffi_extra_compile_args": ["-O3", "-march=native"],
+                "cffi_libraries": ["m"],
+            },
+        )
+        self.J = dolfinx.fem.form(
+            J,
+            entity_maps=entity_maps,
+            jit_options={
+                "cffi_extra_compile_args": ["-O3", "-march=native"],
+                "cffi_libraries": ["m"],
+            },
         )
-        self.J = dolfinx.fem.form(J, entity_maps=entity_maps)
 
     def create_solver(self):
-        self.solver = NewtonSolver(
+        self.solver = BlockedNewtonSolver(
             self.forms,
-            self.J,
             [subdomain.u for subdomain in self.volume_subdomains],
+            J=self.J,
             bcs=self.bc_forms,
-            max_iterations=self.settings.max_iterations,
             petsc_options=self.petsc_options,
         )
+        self.solver.max_iterations = (self.settings.max_iterations,)
+        self.solver.convergence_criterion = self.settings.convergence_criterion
+        self.solver.atol = self.settings.atol
+        self.solver.rtol = self.settings.rtol
 
     def create_flux_values_fenics(self):
         """For each particle flux create the ``value_fenics`` attribute"""
@@ -1279,8 +1293,8 @@ def iterate(self):
 
         self.update_time_dependent_values()
 
-        # solve main problem
-        self.solver.solve(self.settings.atol, self.settings.rtol)
+        # Solve main problem
+        self.solver.solve()
 
         # post processing
         self.post_processing()
@@ -1308,7 +1322,7 @@ def run(self):
                 self.progress_bar.refresh()  # refresh progress bar to show 100%
         else:
             # Solve steady-state
-            self.solver.solve(self.settings.rtol)
+            self.solver.solve()
             self.post_processing()
 
     def __del__(self):

src/festim/settings.py

@@ -1,3 +1,5 @@
+from typing import Literal
+
 import festim as F
 
 
@@ -14,6 +16,7 @@ class Settings:
             Defaults to None
         stepsize (festim.Stepsize, optional): stepsize for a transient
             simulation. Defaults to None
+        convergence_criterion: resiudal or incremental (for Newton solver)
 
     Attributes:
         atol (float): Absolute tolerance for the solver.
@@ -23,6 +26,8 @@ class Settings:
         final_time (float): Final time for a transient simulation.
         stepsize (festim.Stepsize): stepsize for a transient
             simulation.
+        convergence_criterion: resiudal or incremental (for Newton solver)
+
     """
 
     def __init__(
@@ -33,13 +38,15 @@ def __init__(
         transient=True,
         final_time=None,
         stepsize=None,
+        convergence_criterion: Literal["residual", "incremental"] = "residual",
     ) -> None:
         self.atol = atol
         self.rtol = rtol
         self.max_iterations = max_iterations
         self.transient = transient
         self.final_time = final_time
         self.stepsize = stepsize
+        self.convergence_criterion = convergence_criterion
 
     @property
     def stepsize(self):

test/system_tests/test_multi_material.py

@@ -142,7 +142,7 @@ def c_exact_bot_np(x):
 
     my_model.temperature = 500.0  # lambda x: 300 + 10 * x[1] + 100 * x[0]
 
-    my_model.settings = F.Settings(atol=None, rtol=1e-5, transient=False)
+    my_model.settings = F.Settings(atol=1e-5, rtol=1e-5, transient=False)
     my_model.exports = [
         F.VTXSpeciesExport(f"u_{subdomain.id}.bp", field=H, subdomain=subdomain)
         for subdomain in my_model.volume_subdomains
@@ -216,7 +216,7 @@ def test_1_material_discontinuous_version():
 
     my_model.temperature = lambda x: 300 + 100 * x[0]
 
-    my_model.settings = F.Settings(atol=None, rtol=1e-5, transient=False)
+    my_model.settings = F.Settings(atol=1e-5, rtol=1e-5, transient=False)
 
     my_model.exports = [
         F.VTXSpeciesExport(
@@ -384,7 +384,7 @@ def test_2_mats_particle_flux_bc():
 
     my_model.temperature = lambda x: 300 + 10 * x[1] + 100 * x[0]
 
-    my_model.settings = F.Settings(atol=None, rtol=1e-5, transient=False)
+    my_model.settings = F.Settings(atol=1e-5, rtol=1e-5, transient=False)
 
     my_model.exports = [
         F.VTXSpeciesExport(f"u_{subdomain.id}.bp", field=H, subdomain=subdomain)