combined workflow

aiida_flexpart/workflows/multi_dates_workflow.py

@@ -86,6 +86,9 @@ def define(cls, spec):
         spec.expose_inputs(FlexpartCalculation,
                            include=['metadata.options'],
                            namespace='flexpart')
+        spec.expose_inputs(FlexpartIfsCalculation,
+                           include=['metadata.options'],
+                           namespace='flexpart')
 
         # Outputs
         #spec.output('output_file', valid_type=orm.SinglefileData)
@@ -121,6 +124,7 @@ def setup(self):
         self.ctx.index = 0
         self.ctx.simulation_dates = self.inputs.simulation_dates
         self.ctx.integration_time = self.inputs.integration_time
+        self.ctx.offline_integration_time = self.inputs.offline_integration_time
 
         #model settings
         self.ctx.release_settings = self.inputs.release_settings
@@ -150,7 +154,13 @@ def prepare_meteo_folder_ifs(self):
                         'edate': orm.Str(e_date),
                     })
 
-        return node.is_finished_ok
+        if node.is_finished_ok:
+             self.report('meteo files transferred successfully')
+             return True
+        else:
+             self.report('failed to transfer meteo files')
+             self.ctx.index += 1
+             return False
 
     def prepare_meteo_folder_cosmo(self):
         e_date, s_date = get_simulation_period(self.ctx.simulation_dates[self.ctx.index],
@@ -170,7 +180,13 @@ def prepare_meteo_folder_cosmo(self):
                         'model': self.inputs.model
                     })
 
-        return node.is_finished_ok
+        if node.is_finished_ok:
+             self.report('meteo files transferred successfully')
+             return True
+        else:
+             self.report('failed to transfer meteo files')
+             self.ctx.index += 1
+             return False
 
     def run_cosmo_simulation(self):
             """Run calculations for equation of state."""
@@ -216,14 +232,14 @@ def run_ifs_simulation(self):
             # Set up calculation.
             self.report(f'Running FIFS for {self.ctx.simulation_dates[self.ctx.index]}')
             builder = FlexpartIfsCalculation.get_builder()
-            builder.code = self.inputs.ifs_code
+            builder.code = self.inputs.fifs_code
 
             #changes in the command file
             new_dict = self.ctx.command.get_dict()
             new_dict['simulation_date'] = self.ctx.simulation_dates[self.ctx.index]
-            new_dict['dumped_particle_data'] = True
             if self.ctx.offline_integration_time>0:
                 new_dict['age_class'] = self.ctx.offline_integration_time * 3600
+                new_dict['dumped_particle_data'] = True
             else:
                 new_dict['age_class'] = self.inputs.integration_time * 3600
             new_dict.update(self.inputs.meteo_inputs)
@@ -239,12 +255,12 @@ def run_ifs_simulation(self):
             builder.outgrid = self.ctx.outgrid
             builder.outgrid_nest = self.ctx.outgrid_nest
             builder.species = self.ctx.species
-            builder.land_use = self.ctx.land_use_ifs
+            builder.land_use = self.inputs.land_use_ifs
             builder.meteo_path = self.inputs.meteo_path_ifs
 
             #remote folder from cosmo calc
             if 'parent_calc_folder' in self.inputs:
-                builder.parent_calc_folder = self.ctx.parent_calc_folder
+                builder.parent_calc_folder = self.inputs.parent_calc_folder
 
             # Walltime, memory, and resources.
             builder.metadata.description = 'Test workflow to submit a flexpart calculation'

examples/example_ifs.py

@@ -96,6 +96,7 @@ def test_run(flexpart_code):
         'target_base': f'/store/empa/em05/{user_name}/aiida_stash',
         'stash_mode': StashMode.COPY.value,
     }
+    #builder.metadata.options.max_wallclock_seconds = 2000
 
     # builder.metadata.dry_run = True
     # builder.metadata.store_provenance = False

examples/example_workflow_combi.py

@@ -55,7 +55,7 @@ def simulation_dates_parser(date_list: list) -> list:
 def test_run(flexpart_code):
     """Run workflow."""
 
-    simulation_dates = simulation_dates_parser(['2021-01-02'])
+    simulation_dates = simulation_dates_parser(['2021-01-03'])
     username='lfernand'
     users_address=f'/users/{username}/resources/flexpart/'
     scratch_address=f'/scratch/snx3000/{username}/FLEXPART_input/'
@@ -81,6 +81,9 @@ def test_run(flexpart_code):
     meteo_path_ifs = orm.RemoteData(
         remote_path = scratch_address+'IFS_GL_05',
         computer=flexpart_code.computer)
+    parent_folder = orm.RemoteData(
+        remote_path = scratch_address+'/',
+        computer=flexpart_code.computer)
 
     #builder starts
     workflow = plugins.WorkflowFactory('flexpart.multi_dates')
@@ -138,7 +141,7 @@ def test_run(flexpart_code):
         'surfdata': surfdata,
         'surfdepo': surfdepo,
     }
-
+    #builder.parent_calc_folder = parent_folder
     builder.flexpart.metadata.options.stash = {
         'source_list': ['aiida.out', 'grid_time_*.nc'],
         'target_base': f'/store/empa/em05/{username}/aiida_stash',

examples/inputs/command.yaml

@@ -15,7 +15,7 @@ concentration_output: 9  # Determines how the output shall be made: concentratio
                             # In plume trajectory mode, output is in the form of average trajectories.
 particle_dump: 4  # Particle dump: 0 no, 1 every output interval, 2 only at end, 4 when leaving domain.
 subgrid_terrain_effect_parameterization: True  # Include ubgrid terrain effect parameterization.
-convection_parametrization: 2  #  Convection: 2 tiedtke, 1 emanuel, 0 no.
+convection_parametrization: 1  #  Convection: 2 tiedtke, 1 emanuel, 0 no.
 age_spectra: True  # Switch on/off the calculation of age spectra: if yes, the file AGECLASSES must be available.
 dumped_particle_data: False  #  Continue simulation with dumped particle data.
 output_for_each_release: True  # Create an ouput file for each release location.