SlurmClusterExecutor - resubmission of crashed jobs (#699)

* Fix SlurmClusterExecutor bug

* Format black

* SlurmClusterExecutor - resubmission of crashed jobs

* remove file rather than try and except

* add test

* extend tests

* fixes

* fix file write

* fix import

* input files

---------

Co-authored-by: pyiron-runner <[email protected]>

Author: jan-janssen

executorlib/task_scheduler/file/shared.py

@@ -116,6 +116,8 @@ def execute_tasks_h5(
                     cache_directory, task_key + "_o.h5"
                 ) not in get_cache_files(cache_directory=cache_directory):
                     file_name = os.path.join(cache_directory, task_key + "_i.h5")
+                    if os.path.exists(file_name):
+                        os.remove(file_name)
                     dump(file_name=file_name, data_dict=data_dict)
                     if not disable_dependencies:
                         task_dependent_lst = [

tests/test_fluxclusterexecutor.py

@@ -8,6 +8,7 @@
 
 try:
     import flux.job
+    from executorlib.task_scheduler.file.hdf import dump
 
     skip_flux_test = "FLUX_URI" not in os.environ
     pmi = os.environ.get("EXECUTORLIB_PMIX", None)
@@ -57,5 +58,36 @@ def test_executor_no_cwd(self):
             self.assertEqual(len(os.listdir("executorlib_cache")), 2)
             self.assertTrue(fs1.done())
 
+    def test_executor_existing_files(self):
+        with FluxClusterExecutor(
+            resource_dict={"cores": 2, "cwd": "executorlib_cache"},
+            block_allocation=False,
+            cache_directory="executorlib_cache",
+        ) as exe:
+            cloudpickle_register(ind=1)
+            fs1 = exe.submit(mpi_funct, 1)
+            self.assertFalse(fs1.done())
+            self.assertEqual(fs1.result(), [(1, 2, 0), (1, 2, 1)])
+            self.assertTrue(fs1.done())
+            self.assertEqual(len(os.listdir("executorlib_cache")), 4)
+            for file_name in os.listdir("executorlib_cache"):
+                file_path = os.path.join("executorlib_cache", file_name )
+                os.remove(file_path)
+                if ".h5" in file_path:
+                    task_key = file_path[:-5] + "_i.h5"
+                    dump(file_name=task_key, data_dict={"a": 1})
+
+        with FluxClusterExecutor(
+            resource_dict={"cores": 2, "cwd": "executorlib_cache"},
+            block_allocation=False,
+            cache_directory="executorlib_cache",
+        ) as exe:
+            cloudpickle_register(ind=1)
+            fs1 = exe.submit(mpi_funct, 1)
+            self.assertFalse(fs1.done())
+            self.assertEqual(fs1.result(), [(1, 2, 0), (1, 2, 1)])
+            self.assertTrue(fs1.done())
+            self.assertEqual(len(os.listdir("executorlib_cache")), 4)
+
     def tearDown(self):
         shutil.rmtree("executorlib_cache", ignore_errors=True)