Merge pull request #408 from FormingWorlds/events

Event triggering to recompute outer boundary condition

Author: planetmariana

.github/workflows/tests.yaml

@@ -21,7 +21,7 @@ jobs:
     strategy:
       matrix:
         os: ['ubuntu-latest', 'macos-latest']
-        python-version: ['3.11', '3.13']
+        python-version: ['3.12','3.13']
         include:
           - os: ubuntu-latest
             INSTALL_DEPS: sudo apt-get update; sudo apt-get install libnetcdff-dev netcdf-bin libssl-dev

input/all_options.toml

@@ -196,8 +196,8 @@ author  = "Harrison Nicholls, Tim Lichtenberg, Mariana Sastre"
     F_initial       = 1e3   # Initial heat flux guess [W m-2]
     radiogenic_heat = false  # enable radiogenic heat production
     tidal_heat      = false  # enable tidal heat production
-    rheo_phi_loc    = 0.3    # Centre of rheological transition
-    rheo_phi_wid    = 0.15   # Width of rheological transition
+    rheo_phi_loc    = 0.6    # Centre of rheological transition
+    rheo_phi_wid    = 0.2   # Width of rheological transition
     bulk_modulus    = 260e9   # Bulk modulus [Pa]
 
     module = "spider"   # Which interior module to use
@@ -214,9 +214,17 @@ author  = "Harrison Nicholls, Tim Lichtenberg, Mariana Sastre"
         ini_dsdr        = -4.698e-6 # Interior entropy gradient [J K-1 kg-1 m-1]
 
     [interior.aragog]
-        num_levels      = 100       # Number of Aragog grid levels
-        tolerance       = 1.0e-7    # solver tolerance
-        ini_tmagma      = 3000.0    # Initial magma surface temperature [K]
+        num_levels                      = 50       # Number of Aragog grid levels
+        tolerance                       = 1.0e-7   # solver tolerance
+        ini_tmagma                      = 3300.0   # Initial magma surface temperature [K]
+        inner_boundary_condition        = 1        # 1 = core cooling model, 2 = prescribed heat flux, 3 = prescribed temperature
+        inner_boundary_value            = 4000     # core temperature [K], if inner_boundary_condition = 3. CMB heat flux [W/m^2], if if inner_boundary_condition = 2
+        conduction                      = true     # enable conductive heat transfer
+        convection                      = true     # enable convective heat transfer
+        gravitational_separation        = false    # enable gravitational separation
+        mixing                          = false    # enable mixing
+        tsurf_poststep_change           = 30       # threshold of maximum change on surface temperature
+        event_triggering                = true    # enable events triggering to avoid abrupt jumps in surface temperature
 
     [interior.dummy]
         ini_tmagma      = 3500.0    # Initial magma surface temperature [K]

input/demos/aragog.toml

@@ -117,6 +117,9 @@ author  = "Harrison Nicholls, Tim Lichtenberg"
         convection                      = true     # enable convective heat transfer
         gravitational_separation        = false    # enable gravitational separation
         mixing                          = false    # enable mixing
+        tsurf_poststep_change           = 30       # threshold of maximum change on surface temperature, compares current and first Tsurf
+        event_triggering                = true    # enable events triggering to avoid abrupt jumps in surface temperature
+
 
     [interior.dummy]
         ini_tmagma      = 3500.0    # Initial magma surface temperature [K]

input/minimal.toml

@@ -32,11 +32,11 @@ author  = "Harrison Nicholls, Tim Lichtenberg, Mariana Sastre"
     corefrac    = 0.55   # non-dim., radius fraction
 
 [atmos_clim]
-    module  = "agni"           # Which atmosphere module to use
+    module  = "janus"           # Which atmosphere module to use
 
-    [atmos_clim.agni]
-        spectral_group  = "Honeyside"   # which gas opacities to include
-        spectral_bands  = "48"          # how many spectral bands?
+    [atmos_clim.janus]
+        spectral_group  = "Frostflow"   # which gas opacities to include
+        spectral_bands  = "16"          # how many spectral bands?
 
 [escape]
     module = "zephyrus"

pyproject.toml

@@ -15,7 +15,7 @@ authors = [
 	{name = "Laurent Soucasse", email = "l.soucasse@esciencecenter.nl"},
 	{name = "Stef Smeets", email = "s.smeets@esciencecenter.nl"},
 	{name = "Dan J. Bower", email = "dbower@ethz.ch"},
-	{name = "Mariana V. Sastre", email = "m.c.villamil.sastre@rug.nl"},
+	{name = "Mariana Sastre", email = "m.c.villamil.sastre@rug.nl"},
 	{name = "Emma Postolec", email = "e.n.postolec@rug.nl"},
 	{name = "Mark Hammond", email = "mark.hammond@physics.ox.ac.uk"},
 	{name = "Patrick Sanan", email = "patrick.sanan@gmail.com"},
@@ -49,12 +49,12 @@ dependencies = [
     "fwl-mors>=25.02.26",
     "fwl-calliope>=25.05.01",
     "fwl-zephyrus>=25.03.11",
-    "aragog>=0.1.11a0",
+    "aragog>=v0.2.5-alpha",
     "cmcrameri",
     "juliacall",
     "matplotlib",
     "netCDF4",
-    "numpy",
+    "numpy>=2.0.0",
     "pandas",
     "scipy",
     "sympy",

src/proteus/config/_interior.py

@@ -86,6 +86,10 @@ class Aragog:
         Whether to include gravitational separation in the model. Default is False.
     mixing: bool
         Whether to include mixing in the model. Default is False.
+    tsurf_poststep_change: float
+        Maximum change in surface temperature allowed during a single interior iteration [K].
+    event_triggering: bool
+        Whether to include event triggering in the solver. Default is True.
     """
 
     logging: str                        = field(default='ERROR',validator=in_(('INFO', 'DEBUG', 'ERROR', 'WARNING')))
@@ -98,6 +102,8 @@ class Aragog:
     convection: bool                    = field(default=True)
     gravitational_separation: bool      = field(default=False)
     mixing: bool                        = field(default=False)
+    tsurf_poststep_change: float        = field(default=30, validator=ge(0))
+    event_triggering:bool               = field(default=True)
 
 
 def valid_interiordummy(instance, attribute, value):

src/proteus/interior/aragog.py

@@ -90,6 +90,8 @@ def setup_solver(config:Config, hf_row:dict, interior_o:Interior_t):
             end_time = 0,
             atol = config.interior.aragog.tolerance,
             rtol = config.interior.aragog.tolerance,
+            tsurf_poststep_change = config.interior.aragog.tsurf_poststep_change,
+            event_triggering = config.interior.aragog.event_triggering,
             )
 
         boundary_conditions = _BoundaryConditionsParameters(

src/proteus/interior/spider.py

@@ -354,7 +354,7 @@ def _try_spider( dirs:dict, config:Config,
     call_sequence.extend(["-param_utbl_const", "1.0E-7"]) # value of parameterisation
 
     # fO2 buffer chosen to define fO2 (7: Iron-Wustite)
-    call_sequence.extend(["-OXYGEN_FUGACITY", "7"])
+    call_sequence.extend(["-OXYGEN_FUGACITY", "2"])
 
     # radionuclides
     if config.interior.radiogenic_heat: