Simulations will now start from scratch if restart==True but no check…

…point file is found
OpenBioSim · Nov 6, 2023 · 7965730 · 7965730
1 parent 9e66360
commit 7965730
Showing 1 changed file with 10 additions and 5 deletions.
diff --git a/src/somd2/runner/_runner.py b/src/somd2/runner/_runner.py
@@ -555,12 +555,17 @@ def _run(sim):
                     )
 
         if self._config.restart:
-            system = _stream.load(
-                str(
-                    self._config.output_directory
-                    / self._fnames[lambda_value]["checkpoint"]
+            try:
+                system = _stream.load(
+                    str(
+                        self._config.output_directory
+                        / self._fnames[lambda_value]["checkpoint"]
+                    )
+                ).clone()
+            except:
+                _logger.warning(
+                    f"Unable to load checkpoint file for λ={lambda_value}, starting from scratch."
                 )
-            ).clone()
         else:
             system = self._system.clone()
         if self._config.restart: