Minimize io operations in experiment, avoid persisting experiment to disk before run/dryrun

src/nemo_run/core/execution/base.py

@@ -227,6 +227,9 @@ def package_configs(self, *cfgs: tuple[str, str]) -> list[str]:
             filenames.append(filename)
         return filenames
 
+    def create_job_dir(self):
+        os.makedirs(self.job_dir, exist_ok=True)
+
     def cleanup(self, handle: str): ...
 
 

src/nemo_run/core/execution/dgxcloud.py

@@ -226,7 +226,6 @@ def assign(
         self.experiment_dir = exp_dir
         self.job_dir = os.path.join(exp_dir, task_dir)
         self.experiment_id = exp_id
-        os.makedirs(self.job_dir, exist_ok=True)
         assert any(
             map(
                 lambda x: os.path.commonpath(

src/nemo_run/core/execution/docker.py

@@ -162,7 +162,6 @@ def assign(
         self.experiment_id = exp_id
         self.experiment_dir = exp_dir
         self.job_dir = os.path.join(exp_dir, task_dir)
-        os.makedirs(self.job_dir, exist_ok=True)
 
     def nnodes(self) -> int:
         return 1

src/nemo_run/core/execution/local.py

@@ -48,7 +48,6 @@ def assign(
         self.experiment_id = exp_id
         self.experiment_dir = exp_dir
         self.job_dir = os.path.join(exp_dir, task_dir)
-        os.makedirs(self.job_dir, exist_ok=True)
 
     def nnodes(self) -> int:
         return 1

src/nemo_run/core/execution/skypilot.py

@@ -280,8 +280,6 @@ def assign(
         self.job_dir = os.path.join(exp_dir, task_dir)
         self.experiment_id = exp_id
 
-        os.makedirs(self.job_dir, exist_ok=True)
-
     def package(self, packager: Packager, job_name: str):
         assert self.experiment_id, "Executor not assigned to an experiment."
         if isinstance(packager, GitArchivePackager):

src/nemo_run/core/execution/slurm.py

@@ -514,7 +514,6 @@ def assign(
         self.job_dir = os.path.join(exp_dir, task_dir)
         self.experiment_id = exp_id
 
-        os.makedirs(self.job_dir, exist_ok=True)
         self.tunnel._set_job_dir(self.experiment_id)
 
     def get_launcher_prefix(self) -> Optional[list[str]]:

src/nemo_run/run/experiment.py

@@ -310,10 +310,7 @@ def __init__(
         self._runner = get_runner()
 
         if not _reconstruct:
-            os.makedirs(self._exp_dir, exist_ok=False)
-
             self.executor = executor if executor else LocalExecutor()
-            self._save_config()
         else:
             assert isinstance(executor, Executor)
             self.executor = executor
@@ -334,6 +331,10 @@ def to_config(self) -> Config:
             log_level=self.log_level,
         )
 
+    def _save_experiment(self, exist_ok: bool = False):
+        os.makedirs(self._exp_dir, exist_ok=exist_ok)
+        self._save_config()
+
     def _save_config(self):
         with open(os.path.join(self._exp_dir, self.__class__._CONFIG_FILE), "w+") as f:
             f.write(ZlibJSONSerializer().serialize(self.to_config()))
@@ -389,6 +390,13 @@ def _load_jobs(self) -> list[Job | JobGroup]:
 
         return jobs
 
+    def _prepare(self, exist_ok: bool = False):
+        self._save_experiment(exist_ok=exist_ok)
+        for job in self.jobs:
+            job.prepare()
+
+        self._save_jobs()
+
     def _add_single_job(
         self,
         task: Union[Partial, Script],
@@ -434,7 +442,6 @@ def _add_single_job(
             plugin.assign(self._id)
             plugin.setup(cloned, executor)
 
-        job.prepare()
         self._jobs.append(job)
         return job.id
 
@@ -482,7 +489,6 @@ def _add_job_group(
                 assert isinstance(_executor, Executor)
                 plugin.setup(task, _executor)
 
-        job_group.prepare()
         self._jobs.append(job_group)
         return job_group.id
 
@@ -552,16 +558,17 @@ def add(
                 dependencies=dependencies.copy() if dependencies else None,
             )
 
-        self._save_jobs()
         return job_id
 
-    def dryrun(self, log: bool = True):
+    def dryrun(self, log: bool = True, exist_ok: bool = False, delete_exp_dir: bool = True):
         """
         Logs the raw scripts that will be executed for each task.
         """
         if log:
             self.console.log(f"[bold magenta]Experiment {self._id} dryrun...")
 
+        self._prepare(exist_ok=exist_ok)
+
         for job in self.jobs:
             if isinstance(job, Job):
                 if log:
@@ -571,6 +578,9 @@ def dryrun(self, log: bool = True):
                     self.console.log(f"[bold magenta]Task Group {job.id}\n")
             job.launch(wait=False, runner=self._runner, dryrun=True, direct=False, log_dryrun=log)
 
+        if delete_exp_dir:
+            shutil.rmtree(self._exp_dir)
+
     def run(
         self,
         sequential: bool = False,
@@ -614,6 +624,9 @@ def run(
             self.console.log("[bold magenta]Experiment in inspection mode...")
             return
 
+        # Prepare experiment before running
+        self._prepare()
+
         if direct:
             self.console.log(
                 "[bold magenta]Running the experiment with direct=True. "
@@ -637,8 +650,8 @@ def run(
                     os.path.join(job.executor.job_dir, f"log_{job.id}_direct_run.out")
                 ):
                     job.launch(wait=True, direct=True, runner=self._runner)
-                self._save_jobs()
 
+            self._save_jobs()
             self._launched = any(map(lambda job: job.launched, self.jobs))
             self._direct = True
             return
@@ -669,7 +682,7 @@ def run(
             for i in range(1, len(self.jobs)):
                 self.jobs[i].dependencies.append(self.jobs[i - 1].id)
 
-        self.dryrun(log=False)
+        self.dryrun(log=False, exist_ok=True, delete_exp_dir=False)
         for tunnel in self.tunnels.values():
             if isinstance(tunnel, SSHTunnel):
                 tunnel.connect()
@@ -746,14 +759,14 @@ def _run_dag(self, detach: bool, tail_logs: bool, executors: set[Executor]):
                         job.executor.dependencies = deps  # type: ignore
                     job.launch(wait=False, runner=self._runner)
 
-                    self._save_jobs()
                 except Exception as e:
                     self.console.log(f"Error running job {job.id}: {e}")
                     raise e
 
             if wait:
                 self._wait_for_jobs(jobs=[job_map[node] for node in level])
 
+        self._save_jobs()
         self._launched = any(map(lambda job: job.launched, self.jobs))
         self._waited = wait
 
@@ -955,7 +968,6 @@ def reset(self) -> "Experiment":
         old_id, old_exp_dir, old_launched = self._id, self._exp_dir, self._launched
         self._id = f"{self._title}_{int(time.time())}"
         self._exp_dir = os.path.join(NEMORUN_HOME, "experiments", self._title, self._id)
-        os.makedirs(self._exp_dir, exist_ok=False)
         self._launched = False
         self._live_progress = None
 
@@ -967,12 +979,9 @@ def reset(self) -> "Experiment":
             _current_experiment.set(self)
             _set_current_experiment = True
 
-        if "__main__.py" in os.listdir(old_exp_dir):
-            shutil.copy(os.path.join(old_exp_dir, "__main__.py"), self._exp_dir)
-
         try:
             if "__external_main__" not in sys.modules:
-                maybe_load_external_main(self._exp_dir)
+                maybe_load_external_main(old_exp_dir)
 
             for job in jobs:
                 if isinstance(job, Job):
@@ -1022,8 +1031,6 @@ def reset(self) -> "Experiment":
                 self._current_experiment_token = None
 
         self._reconstruct = False
-        self._save_config()
-
         return self
 
     def _initialize_live_progress(self):

src/nemo_run/run/job.py

@@ -92,6 +92,7 @@ def logs(self, runner: Runner, regex: str | None = None):
         )
 
     def prepare(self):
+        self.executor.create_job_dir()
         self._executable = package(
             self.id, self.task, executor=self.executor, serialize_to_file=True
         )
@@ -306,6 +307,7 @@ def logs(self, runner: Runner, regex: str | None = None):
         )
 
     def prepare(self):
+        self.executor.create_job_dir()
         self._executables: list[tuple[AppDef, Executor]] = []
         for i, task in enumerate(self.tasks):
             executor = self.executors if self._merge else self.executors[i]  # type: ignore

test/core/execution/test_local.py

@@ -37,7 +37,7 @@ def test_local_executor_assign():
 
         assert executor.experiment_id == "test_exp"
         assert executor.job_dir == os.path.join(tmp_dir, "test_task")
-        assert os.path.exists(executor.job_dir)
+        assert not os.path.exists(executor.job_dir)
 
 
 def test_local_executor_nnodes():