add option for lazy creation of microsims

micro_manager/adaptivity/adaptivity.py

@@ -25,6 +25,7 @@ def __init__(self, configurator, logger) -> None:
         self._hist_param = configurator.get_adaptivity_hist_param()
         self._adaptivity_data_names = configurator.get_data_for_adaptivity()
         self._adaptivity_type = configurator.get_adaptivity_type()
+        self._micro_file_name = configurator.get_micro_file_name()
 
         self._logger = logger
 

micro_manager/adaptivity/global_adaptivity.py

@@ -6,13 +6,15 @@
 Note: All ID variables used in the methods of this class are global IDs, unless they have *local* in their name.
 """
 import hashlib
+import importlib
 from copy import deepcopy
 from typing import Dict
 
 import numpy as np
 from mpi4py import MPI
 
 from .adaptivity import AdaptivityCalculator
+from ..micro_simulation import create_simulation_class
 
 
 class GlobalAdaptivityCalculator(AdaptivityCalculator):
@@ -259,6 +261,16 @@ def _update_inactive_sims(
             # Only handle activation of simulations on this rank -- LOCAL SCOPE HERE ON
             if self._is_sim_on_this_rank[i]:
                 to_be_activated_local_id = self._global_ids.index(i)
+                if micro_sims[to_be_activated_local_id] == None:
+                    self._logger.info(f"{i} to be solved, lazy initialization")
+                    micro_problem = getattr(
+                        importlib.import_module(
+                            self._micro_file_name, "MicroSimulation"
+                        ),
+                        "MicroSimulation",
+                    )
+                    micro_sims[to_be_activated_local_id] = create_simulation_class(micro_problem)(i)
+                    self._logger.info(f"lazy initialization of {i} successful")
                 assoc_active_id = local_sim_is_associated_to[to_be_activated_local_id]
 
                 if self._is_sim_on_this_rank[
@@ -278,9 +290,13 @@ def _update_inactive_sims(
                             to_be_activated_local_id
                         ]
 
+        # TODO: could be moved to before the lazy initialization above
         sim_states_and_global_ids = []
-        for sim in micro_sims:
-            sim_states_and_global_ids.append((sim.get_state(), sim.get_global_id()))
+        for local_id, sim in enumerate(micro_sims):
+            if sim == None:
+                sim_states_and_global_ids.append((None, self._global_ids[local_id]))
+            else:
+                sim_states_and_global_ids.append((sim.get_state(), sim.get_global_id()))
 
         recv_reqs = self._p2p_comm(
             list(to_be_activated_map.keys()), sim_states_and_global_ids

micro_manager/config.py

@@ -56,6 +56,8 @@ def __init__(self, logger, config_filename):
 
         self._output_micro_sim_time = False
 
+        self._micro_sims_lazy_init = False
+
         self.read_json(config_filename)
 
     def read_json(self, config_filename):
@@ -182,6 +184,9 @@ def read_json_micro_manager(self):
             else:
                 raise Exception("Adaptivity type can be either local or global.")
 
+            if data["simulation_params"]["adaptivity_settings"]["lazy_init"] == "True":
+                self._micro_sims_lazy_init = True
+
             exchange_data = {**self._read_data_names, **self._write_data_names}
             for dname in self._data["simulation_params"]["adaptivity_settings"]["data"]:
                 self._data_for_adaptivity[dname] = exchange_data[dname]
@@ -500,6 +505,18 @@ def is_adaptivity_required_in_every_implicit_iteration(self):
         """
         return self._adaptivity_every_implicit_iteration
 
+    def micro_sims_lazy_init(self):
+        """
+        Boolean stating whether micro simulations are created in a lazy manner.
+
+        Returns
+        -------
+        adaptivity : bool
+            True if micro simulations are created only when needed, False otherwise.
+
+        """
+        return self._micro_sims_lazy_init
+
     def get_micro_dt(self):
         """
         Get the size of the micro time window.

micro_manager/micro_manager.py

@@ -80,6 +80,8 @@ def __init__(self, config_file: str) -> None:
 
         self._is_adaptivity_on = self._config.turn_on_adaptivity()
 
+        self._micro_sims_lazy_init = self._is_adaptivity_on and self._config.micro_sims_lazy_init()
+
         if self._is_adaptivity_on:
             self._number_of_sims_for_adaptivity = 0
 
@@ -140,7 +142,7 @@ def solve(self) -> None:
             )
 
             # If micro simulations have been initialized, compute adaptivity before starting the coupling
-            if self._micro_sims_init:
+            if self._micro_sims_init or self._micro_sims_lazy_init:
                 (
                     similarity_dists,
                     is_sim_active,
@@ -153,6 +155,30 @@ def solve(self) -> None:
                     sim_is_associated_to,
                     self._data_for_adaptivity,
                 )
+            if self._micro_sims_lazy_init:
+                if self._adaptivity_type == "local":
+                    active_sim_ids = np.where(is_sim_active)[0]
+                elif self._adaptivity_type == "global":
+                    active_sim_ids = np.where(
+                        is_sim_active[
+                            self._global_ids_of_local_sims[
+                                0
+                            ] : self._global_ids_of_local_sims[-1]
+                            + 1
+                        ]
+                    )[0]
+                    micro_problem = getattr(
+                        importlib.import_module(
+                            self._config.get_micro_file_name(), "MicroSimulation"
+                        ),
+                        "MicroSimulation",
+                    )
+                for i in active_sim_ids:
+                    self._logger.info(f"lazy initialization of micro sim {i} started")
+                    self._micro_sims[i] = create_simulation_class(micro_problem)(
+                        self._global_ids_of_local_sims[i]
+                    )
+                    self._logger.info(f"lazy initialization of micro sim {i} completed")
 
         while self._participant.is_coupling_ongoing():
 
@@ -161,7 +187,7 @@ def solve(self) -> None:
             # Write a checkpoint
             if self._participant.requires_writing_checkpoint():
                 for i in range(self._local_number_of_sims):
-                    sim_states_cp[i] = self._micro_sims[i].get_state()
+                    sim_states_cp[i] = self._micro_sims[i].get_state() if self._micro_sims[i] else None
                 t_checkpoint = t
                 n_checkpoint = n
 
@@ -232,6 +258,9 @@ def solve(self) -> None:
 
                     for active_id in active_sim_ids:
                         self._micro_sims_active_steps[active_id] += 1
+                        if sim_states_cp[active_id] == None:
+                            sim_states_cp[active_id] = self._micro_sims[active_id].get_state()
+                            self._logger.info(f"state of lazily initialized micro sim {self._global_ids_of_local_sims[active_id]} successfully checkpointed")
 
                 micro_sims_output = self._solve_micro_simulations_with_adaptivity(
                     micro_sims_input, is_sim_active, sim_is_associated_to, dt
@@ -273,7 +302,8 @@ def solve(self) -> None:
             # Revert micro simulations to their last checkpoints if required
             if self._participant.requires_reading_checkpoint():
                 for i in range(self._local_number_of_sims):
-                    self._micro_sims[i].set_state(sim_states_cp[i])
+                    if self._micro_sims[i]:
+                        self._micro_sims[i].set_state(sim_states_cp[i])
                 n = n_checkpoint
                 t = t_checkpoint
 
@@ -289,16 +319,17 @@ def solve(self) -> None:
             ):  # Time window has converged, now micro output can be generated
                 self._logger.info(
                     "Micro simulations {} - {} have converged at t = {}".format(
-                        self._micro_sims[0].get_global_id(),
-                        self._micro_sims[-1].get_global_id(),
+                        self._global_ids_of_local_sims[0],
+                        self._global_ids_of_local_sims[-1],
                         t,
                     )
                 )
 
                 if self._micro_sims_have_output:
                     if n % self._micro_n_out == 0:
                         for sim in self._micro_sims:
-                            sim.output()
+                            if sim:
+                                sim.output()
 
         self._participant.finalize()
 
@@ -404,16 +435,16 @@ def initialize(self) -> None:
         )
 
         # Create micro simulation objects
-        for i in range(self._local_number_of_sims):
-            self._micro_sims[i] = create_simulation_class(micro_problem)(
-                self._global_ids_of_local_sims[i]
-            )
-
-        self._logger.info(
-            "Micro simulations with global IDs {} - {} created.".format(
-                self._global_ids_of_local_sims[0], self._global_ids_of_local_sims[-1]
+        if not self._micro_sims_lazy_init:
+            for i in range(self._local_number_of_sims):
+                self._micro_sims[i] = create_simulation_class(micro_problem)(
+                    self._global_ids_of_local_sims[i]
+                )
+            self._logger.info(
+                "Micro simulations with global IDs {} - {} created.".format(
+                    self._global_ids_of_local_sims[0], self._global_ids_of_local_sims[-1]
+                )
             )
-        )
 
         if self._is_adaptivity_on:
             if self._adaptivity_type == "local":
@@ -441,6 +472,8 @@ def initialize(self) -> None:
 
         if not initial_data:
             is_initial_data_available = False
+            if self._micro_sims_lazy_init:
+                raise Exception("no initial macro data available, lazy initialization would result in only one active simulation.")
         else:
             is_initial_data_available = True
 
@@ -451,6 +484,8 @@ def initialize(self) -> None:
         if hasattr(micro_problem, "initialize") and callable(
             getattr(micro_problem, "initialize")
         ):
+            if self._micro_sims_lazy_init:
+                raise Exception("Adaptivity can't use data returned by initialize function of micro sims when using lazy initialization.")
             self._micro_sims_init = True  # Starting value before setting
 
             try:  # Try to get the signature of the initialize() method, if it is written in Python