Log total run time in minutes.

src/somd2/runner/_repex.py

@@ -267,10 +267,14 @@ def run(self):
         """
 
         from math import ceil
+        from time import time
 
         from concurrent.futures import ThreadPoolExecutor as _ThreadPoolExecutor
         from itertools import repeat as _repeat
 
+        # Record the start time.
+        start = time()
+
         # Work out the number of repex cycles.
         cycles = ceil(self._config.runtime / self._config.energy_frequency)
 
@@ -407,6 +411,12 @@ def run(self):
                 if is_checkpoint:
                     block += 1
 
+        # Record the end time.
+        end = time()
+
+        # Log the run time in minutes.
+        _logger.success(f"Simulation finished. Run time: {(end - start) / 60:.2f} minutes")
+
     def _run_block(
         self, index, lambdas, is_checkpoint, is_final_block, block, num_blocks
     ):

src/somd2/runner/_runner.py

@@ -131,15 +131,12 @@ def _zero_gpu_devices(devices):
     def run(self):
         """
         Use concurrent.futures to run lambda windows in parallel
+        """
 
-        Returns
-        --------
+        from time import time
 
-        results : [bool]
-            List of simulation results. (Currently whether the simulation finished
-            successfully or not.)
-        """
-        results = self._manager.list()
+        # Record the start time.
+        start = time()
 
         # Create shared resources.
         self._create_shared_resources()
@@ -184,16 +181,18 @@ def run(self):
                         _logger.error(
                             f"Exception raised for {_lam_sym} = {lambda_value}: {e}"
                         )
-                    with self._lock:
-                        results.append(result)
 
             # Kill all current and future jobs if keyboard interrupt.
             except KeyboardInterrupt:
                 _logger.error("Cancelling job...")
                 for pid in executor._processes:
                     executor._processes[pid].terminate()
 
-        return results
+        # Record the end time.
+        end = time()
+
+        # Log the run time in minutes.
+        _logger.success(f"Simulation finished. Run time: {(end - start) / 60:.2f} minutes")
 
     def run_window(self, index):
         """