locations level type

aiida_flexpart/calculations/post_processing.py

@@ -24,7 +24,6 @@ def define(cls, spec):
             'num_machines': 1,
             'num_mpiprocs_per_machine': 1,
         }
-        spec.input('metadata.options.max_wallclock_seconds', valid_type = int, default=1800)
 
         #INPUTS
         spec.input("input_dir", valid_type = orm.RemoteData, required=True,

aiida_flexpart/utils.py

@@ -2,6 +2,7 @@
 """Utilties to convert between python and fortran data types and formats."""
 
 import numbers
+import datetime
 import importlib
 import numpy
 import jinja2
@@ -203,7 +204,29 @@ def reformat_locations(dict_, model):
                 dict_[key]['lower_z_level'] = dict_[key]['level']['default']
                 dict_[key]['upper_z_level'] = dict_[key]['level']['default']
 
+            dict_[key]['level_type'] = dict_[key]['level_type'][model]
+
             dict_[key].pop('longitude')
             dict_[key].pop('latitude')
             dict_[key].pop('level')
     return dict_
+
+def get_simulation_period(date,
+                   age_class_time,
+                   release_duration,
+                   simulation_direction
+                   ):
+        """Dealing with simulation times."""
+        #initial values
+        simulation_beginning_date = datetime.datetime.strptime(date,'%Y-%m-%d %H:%M:%S')
+        age_class_time = datetime.timedelta(seconds=age_class_time)
+        release_duration = datetime.timedelta(seconds=release_duration+3600)
+
+        if simulation_direction>0: #forward
+            simulation_ending_date=simulation_beginning_date+release_duration+age_class_time
+        else: #backward
+           simulation_ending_date=release_duration+simulation_beginning_date
+           simulation_beginning_date-=age_class_time
+
+        return datetime.datetime.strftime(simulation_ending_date,'%Y%m%d%H'), datetime.datetime.strftime(simulation_beginning_date,'%Y%m%d%H')
+

aiida_flexpart/workflows/multi_dates_workflow.py

@@ -3,35 +3,17 @@
 from aiida import engine, plugins, orm
 from aiida_shell import launch_shell_job
 from aiida.engine import calcfunction, while_, if_
-import datetime
+from aiida_flexpart.utils import get_simulation_period
 
-FlexpartCalculation = plugins.CalculationFactory('flexpart.cosmo')
+#plugins
+FlexpartCosmoCalculation = plugins.CalculationFactory('flexpart.cosmo')
 FlexpartIfsCalculation = plugins.CalculationFactory('flexpart.ifs')
 FlexpartPostCalculation = plugins.CalculationFactory('flexpart.post')
 
 #possible models
 cosmo_models = ['cosmo7', 'cosmo1', 'kenda1']
 ECMWF_models = ['IFS_GL_05', 'IFS_GL_1', 'IFS_EU_02', 'IFS_EU_01']
 
-def get_simulation_period(date,
-                   age_class_time,
-                   release_duration,
-                   simulation_direction
-                   ):
-        """Dealing with simulation times."""
-        #initial values
-        simulation_beginning_date = datetime.datetime.strptime(date,'%Y-%m-%d %H:%M:%S')
-        age_class_time = datetime.timedelta(seconds=age_class_time)
-        release_duration = datetime.timedelta(seconds=release_duration+3600)
-
-        if simulation_direction>0: #forward
-            simulation_ending_date=simulation_beginning_date+release_duration+age_class_time
-        else: #backward
-           simulation_ending_date=release_duration+simulation_beginning_date
-           simulation_beginning_date-=age_class_time
-
-        return datetime.datetime.strftime(simulation_ending_date,'%Y%m%d%H'), datetime.datetime.strftime(simulation_beginning_date,'%Y%m%d%H')
-
 
 class FlexpartMultipleDatesWorkflow(engine.WorkChain):
     """Flexpart multi-dates workflow"""
@@ -89,9 +71,9 @@ def define(cls, spec):
                              help='#TODO')
         spec.input_namespace('land_use_ifs', valid_type=orm.RemoteData, required=False, dynamic=True)
 
-        spec.expose_inputs(FlexpartCalculation,
+        spec.expose_inputs(FlexpartCosmoCalculation,
                            include=['metadata.options'],
-                           namespace='flexpart')
+                           namespace='flexpartcosmo')
         spec.expose_inputs(FlexpartIfsCalculation,
                            include=['metadata.options'],
                            namespace='flexpartifs')
@@ -116,11 +98,6 @@ def define(cls, spec):
                 cls.run_ifs_simulation
                 )
             ),
-            if_(cls.run_offline)(
-                if_(cls.prepare_meteo_folder_ifs)(
-                cls.run_ifs_simulation
-                )
-            ),
             cls.post_processing,
             ),
             cls.results,
@@ -136,18 +113,14 @@ def run_cosmo(self):
             return False
 
     def run_ifs(self):
-         if all(mod in ECMWF_models for mod in self.inputs.model) and self.inputs.model:
+         if (all(mod in ECMWF_models for mod in self.inputs.model) or 
+             all(mod in ECMWF_models for mod in self.inputs.model_offline) and 
+             self.inputs.model and 
+             self.inputs.model_offline
+             ):
             return True
          else:
             return False
-
-    def run_offline(self):
-         if all(mod in ECMWF_models for mod in self.inputs.model_offline) and self.inputs.model and self.inputs.model_offline:
-              self.ctx.index-=1
-              return True
-         elif all(mod in ECMWF_models for mod in self.inputs.model_offline) and not self.inputs.model:
-              return True
-         return False
 
     def setup(self):
         """Prepare a simulation."""
@@ -262,7 +235,7 @@ def run_cosmo_simulation(self):
 
             self.report(f'starting flexpart cosmo {self.ctx.simulation_dates[self.ctx.index]}')
 
-            builder = FlexpartCalculation.get_builder()
+            builder = FlexpartCosmoCalculation.get_builder()
             builder.code = self.inputs.fcosmo_code
 
             #update command file 
@@ -287,14 +260,14 @@ def run_cosmo_simulation(self):
 
             # Walltime, memory, and resources.
             builder.metadata.description = 'Test workflow to submit a flexpart calculation'
-            builder.metadata.options = self.inputs.flexpart.metadata.options
+            builder.metadata.options = self.inputs.flexpartcosmo.metadata.options
 
 
             # Ask the workflow to continue when the results are ready and store them in the context
             running = self.submit(builder)
             self.to_context(calculations=engine.append_(running))
-
-            self.ctx.index += 1
+            if self.ctx.offline_integration_time == 0:
+                 self.ctx.index += 1
 
     def run_ifs_simulation(self):
             """Run calculations for equation of state."""
@@ -307,19 +280,17 @@ def run_ifs_simulation(self):
             new_dict = self.ctx.command.get_dict()
             new_dict['simulation_date'] = self.ctx.simulation_dates[self.ctx.index]
 
-            if self.inputs.model_offline[0] in ECMWF_models:
+            if self.ctx.offline_integration_time > 0:
                 new_dict['age_class'] = self.ctx.offline_integration_time * 3600
                 new_dict['dumped_particle_data'] = True
 
-                if self.inputs.model:
-                    self.ctx.parent_calc_folder = self.ctx.calculations[-1].outputs.remote_folder
-                    self.report(f'starting from: {self.ctx.parent_calc_folder}')
-                else:
-                    self.ctx.parent_calc_folder = self.inputs.parent_calc_folder
+                self.ctx.parent_calc_folder = self.ctx.calculations[-1].outputs.remote_folder
+                builder.parent_calc_folder = self.ctx.parent_calc_folder
+                self.report(f'starting from: {self.ctx.parent_calc_folder}')
 
                 builder.meteo_path = self.inputs.meteo_path_offline
-                builder.parent_calc_folder = self.ctx.parent_calc_folder
                 new_dict.update(self.inputs.meteo_inputs_offline)
+
             else:
                 new_dict['age_class'] = self.inputs.integration_time * 3600
                 builder.meteo_path = self.inputs.meteo_path

examples/example_workflow_combi.py

@@ -63,8 +63,8 @@ def simulation_dates_parser(date_list: list) -> list:
 def test_run(flexpart_code):
     """Run workflow."""
 
-    simulation_dates = simulation_dates_parser(['2020-10-01'])
-    model = ['cosmo7']
+    simulation_dates = simulation_dates_parser(['2020-10-01,2020-10-02'])
+    model = ['cosmo7', 'cosmo1']
     model_offline = []
     username='lfernand'
     outgrid_main = 'Europe'
@@ -118,10 +118,10 @@ def test_run(flexpart_code):
     builder.model = orm.List(model)
     builder.model_offline = orm.List(model_offline)
 
-    if model:
-        meteo_path = orm.List([scratch_address+mod for mod in model])
-        builder.meteo_path = meteo_path
-        builder.meteo_inputs = orm.Dict(
+
+    meteo_path = orm.List([scratch_address+mod for mod in model])
+    builder.meteo_path = meteo_path
+    builder.meteo_inputs = orm.Dict(
             dict=read_yaml_data('inputs/meteo_inputs.yaml', names=[
                 model[-1],
             ])[model[-1]])
@@ -172,7 +172,7 @@ def test_run(flexpart_code):
     }
     builder.parent_calc_folder = parent_folder
 
-    builder.flexpart.metadata.options.stash = {
+    builder.flexpartcosmo.metadata.options.stash = {
         'source_list': ['aiida.out','header*','partposit_inst', 'grid_time_*.nc'],
         'target_base': f'/store/empa/em05/{username}/aiida_stash',
         'stash_mode': StashMode.COPY.value,
@@ -189,7 +189,7 @@ def test_run(flexpart_code):
     }
 
     #change wall time for cosmo and ifs in seconds
-    builder.flexpart.metadata.options.max_wallclock_seconds = 1800
+    builder.flexpartcosmo.metadata.options.max_wallclock_seconds = 1800
     #builder.flexpartifs.metadata.options.max_wallclock_seconds = 2700
 
     engine.run(builder)

examples/inputs/locations.yaml

@@ -1,27 +1,45 @@
-TEST_32:
-  longitude_of_lower_left_corner: 0007.2480
-  latitude_of_lower_left_corner: 0047.0536
-  longitude_of_upper_right_corner: 0007.2480
-  latitude_of_upper_right_corner: 0047.0536
-  lower_z_level: 00032.000
-  upper_z_level: 00032.000
-  level_type: 1 # 1 for m above ground, 2 for m above sea level
-
-TEST_200:
-  longitude_of_lower_left_corner: 0007.2480
-  latitude_of_lower_left_corner: 0047.0536
-  longitude_of_upper_right_corner: 0007.2480
-  latitude_of_upper_right_corner: 0047.0536
-  lower_z_level: 00200.000
-  upper_z_level: 00200.000
-  level_type: 1 # 1 for m above ground, 2 for m above sea level
-
-TEST_210:
-  longitude: 7.2480
-  latitude: 47.0536
-  level: 
-    cosmo7: 200.000
-    cosmo1: 100.000
-    default: 150.000    
-  level_type: 1 
-
+JFJ_5magl:
+  longitude: 7.9851
+  latitude: 46.5475
+  level:
+    IFS_EU_01: 3062.0
+    IFS_EU_02: 2929.0
+    cosmo7: 3121.0
+    IFS_GL_05: 3085.0
+    IFS_GL_1: 2600.0
+  level_type:
+    IFS_EU_01: 2
+    IFS_EU_02: 2
+    cosmo7: 2
+    IFS_GL_05: 2
+    IFS_GL_1: 2
+MHD_10magl:
+  longitude: -9.9046
+  latitude: 53.3267
+  level:
+    IFS_EU_01: 10.0
+    IFS_EU_02: 10.0
+    cosmo7: 10.0
+    IFS_GL_05: 10.0
+    IFS_GL_1: 10.0
+  level_type:
+    IFS_EU_01: 1
+    IFS_EU_02: 1
+    cosmo7: 1
+    IFS_GL_05: 1
+    IFS_GL_1: 1
+KIT_200magl:
+  longitude: 8.4249
+  latitude: 49.0915
+  level:
+    IFS_EU_02: 200.0
+    cosmo7: 200.0
+    IFS_EU_01: 200.0
+    IFS_GL_05: 200.0
+    IFS_GL_1: 200.0
+  level_type:
+    IFS_EU_02: 1
+    cosmo7: 1
+    IFS_EU_01: 1
+    IFS_GL_05: 1
+    IFS_GL_1: 1