Version 25.05.20

Author: nichollsh

CITATION.cff

@@ -32,7 +32,7 @@ authors:
   orcid: "https://orcid.org/0000-0002-0673-4860"
 
 title: "PROTEUS"
-version: 25.03.28
+version: 25.05.20
 doi: 10.xx/xx.xx
-date-released: 2025-03-28
+date-released: 2025-05-20
 url: "https://github.com/FormingWorlds/PROTEUS"

input/planets/l9859d.toml

@@ -126,7 +126,7 @@ author  = "Harrison Nicholls, Tim Lichtenberg"
 
 
 [outgas]
-    fO2_shift_IW    = 0         # log10(ΔIW), atmosphere/interior boundary oxidation state
+    fO2_shift_IW    = -3         # log10(ΔIW), atmosphere/interior boundary oxidation state
     module = "calliope"         # Which outgassing module to use
 
 [delivery]
@@ -137,7 +137,7 @@ author  = "Harrison Nicholls, Tim Lichtenberg"
         H_ppmw      = 800.0     # Hydrogen inventory in ppmw relative to mantle mass
         CH_ratio    = 1.0        # C/H mass ratio in mantle/atmosphere system
         NH_ratio    = 0.018       # N/H mass ratio in mantle/atmosphere system
-        SH_ratio    = 4.0       # S/H mass ratio in mantle/atmosphere system
+        SH_ratio    = 8.0       # S/H mass ratio in mantle/atmosphere system
 
 [observe]
     synthesis = "platon"

pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 # https://packaging.python.org/en/latest/specifications/declaring-project-metadata/
 [project]
 name = "fwl-proteus"
-version = "25.03.28"
+version = "25.05.20"
 description = "Coupled atmosphere-interior framework to simulate the temporal evolution of rocky planets"
 readme = "README.md"
 requires-python = ">=3.11"
@@ -126,7 +126,7 @@ indent-style = "space"
 
 [tool.bumpversion]
 # https://callowayproject.github.io/bump-my-version/howtos/calver/
-current_version = "25.03.28"
+current_version = "25.05.20"
 parse = """(?x)                      # Verbose mode
     (?P<release>                     # The release part
         (?:[1-9][0-9])\\.            # YY.

src/proteus/__init__.py

@@ -2,6 +2,6 @@
 
 from .proteus import Proteus
 
-__version__ = '25.03.28'
+__version__ = '25.05.20'
 
 __all__ = ['Proteus']

tools/grid_proteus.py

@@ -468,6 +468,7 @@ def slurm_config(self, max_jobs:int, test_run:bool=False,
         """
 
         max_days = int(max_days) # ensure integer
+        max_jobs = min(max_jobs, self.size) # do not request more jobs than we need
 
         log.info("Generating PROTEUS slurm config for parameter grid '%s'" % self.name)
         log.info("Will run for up to %d days per job" % max_days)
@@ -530,13 +531,13 @@ def slurm_config(self, max_jobs:int, test_run:bool=False,
     print("Start GridPROTEUS")
 
     # Output folder name, created inside `PROTEUS/output/`
-    folder = "scratch/l98d_habrok3"
+    folder = "scratch/l98d_habrok5"
 
     # Use SLURM?
     use_slurm = True
 
     # Execution limits
-    max_jobs = 320      # maximum number of concurrent tasks
+    max_jobs = 300      # maximum number of concurrent tasks
     max_days = 1         # maximum number of days to run
     max_mem  = 3         # maximum memory per CPU in GB
 
@@ -554,17 +555,19 @@ def slurm_config(self, max_jobs:int, test_run:bool=False,
     pg = Grid(folder, cfg_base, symlink_dir=symlink)
 
     # Add dimensions to grid...
-    pg.add_dimension("Redox state", "outgas.fO2_shift_IW")
-    pg.set_dimension_arange("Redox state", -4.5, 0.0, 0.5)
+    # pg.add_dimension("Redox state", "outgas.fO2_shift_IW")
+    # pg.set_dimension_arange("Redox state", -4.5, 0.0, 0.5)
 
-    pg.add_dimension("Hydrogen", "delivery.elements.H_ppmw")
-    pg.set_dimension_arange("Hydrogen", 16000, 1000, -3000)
+    # pg.add_dimension("Hydrogen", "delivery.elements.H_ppmw")
+    # pg.set_dimension_arange("Hydrogen", 16000, 1000, -3000)
+
+    # pg.add_dimension("Sulfur", "delivery.elements.SH_ratio")
+    # pg.set_dimension_direct("Sulfur", [2, 4, 6, 8, 10])
+
+    # pg.add_dimension("Mass", "struct.mass_tot")
+    # pg.set_dimension_direct("Mass", [1.85, 2.14, 2.39])
 
-    pg.add_dimension("Sulfur", "delivery.elements.SH_ratio")
-    pg.set_dimension_direct("Sulfur", [2, 4, 6, 8, 10])
 
-    pg.add_dimension("Mass", "struct.mass_tot")
-    pg.set_dimension_direct("Mass", [1.85, 2.14, 2.39])
 
 
     # pg.add_dimension("Eccentricity", "orbit.eccentricity")
@@ -579,6 +582,17 @@ def slurm_config(self, max_jobs:int, test_run:bool=False,
     # pg.add_dimension("Bands", "atmos_clim.agni.spectral_bands")
     # pg.set_dimension_direct("Bands", ["16", "48", "256"])
 
+
+    pg.add_dimension("Hydrogen", "delivery.elements.H_ppmw")
+    pg.set_dimension_arange("Hydrogen", 8000, 30000, 2000)
+
+    pg.add_dimension("Efficiency", "escape.zephyrus.efficiency")
+    pg.set_dimension_arange("Efficiency", 0.0, 0.25, 0.025)
+
+    pg.add_dimension("Redox state", "outgas.fO2_shift_IW")
+    pg.set_dimension_direct("Redox state", [-3,-2])
+
+
     # Print information
     pg.print_setup()
     pg.generate()