Add per-rank disk checkpointing for adjoint tape

firedrake/adjoint_utils/checkpointing.py

@@ -6,6 +6,7 @@
 import os
 import shutil
 import atexit
+import warnings
 from abc import ABC, abstractmethod
 from numbers import Number
 _enable_disk_checkpoint = False
@@ -49,7 +50,8 @@ def __exit__(self, *args):
         _checkpoint_init_data = self._init
 
 
-def enable_disk_checkpointing(dirname=None, comm=COMM_WORLD, cleanup=True):
+def enable_disk_checkpointing(dirname=None, comm=COMM_WORLD, cleanup=True,
+                              checkpoint_comm=None, checkpoint_dir=None):
     """Add a DiskCheckpointer to the current tape.
 
     Disk checkpointing is fully enabled by calling::
@@ -68,23 +70,48 @@ def enable_disk_checkpointing(dirname=None, comm=COMM_WORLD, cleanup=True):
     `checkpoint_schedules` provides other schedules for checkpointing to memory, disk,
     or a combination of both.
 
+    For HPC systems with fast node-local storage, function data can be
+    checkpointed on a sub-communicator to avoid parallel HDF5 overhead::
+
+        enable_disk_checkpointing(checkpoint_comm=MPI.COMM_SELF,
+                                  checkpoint_dir="/local/scratch")
+
     Parameters
     ----------
     dirname : str
-        The directory in which the disk checkpoints should be stored. If not
-        specified then the current working directory is used. Checkpoints are
-        stored in a temporary subdirectory of this directory.
+        The directory in which the shared disk checkpoints should be stored.
+        If not specified then the current working directory is used.
+        Checkpoints are stored in a temporary subdirectory of this directory.
     comm : mpi4py.MPI.Intracomm
         The MPI communicator over which the computation to be disk checkpointed
         is defined. This will usually match the communicator on which the
         mesh(es) are defined.
     cleanup : bool
         If set to False, checkpoint files will not be deleted when no longer
         required. This is usually only useful for debugging.
+    checkpoint_comm : mpi4py.MPI.Intracomm or None
+        If specified, function data is checkpointed using PETSc Vec I/O on
+        this communicator instead of using Firedrake's CheckpointFile. This
+        bypasses parallel HDF5 and is ideal for node-local storage on HPC
+        systems. Passing ``MPI.COMM_SELF`` gives each rank its own file,
+        while a shared node communicator groups ranks that share storage.
+        The mesh checkpoint (via ``checkpointable_mesh``) always uses shared
+        storage. Requires the same communicator layout on restore.
+    checkpoint_dir : str or None
+        The directory in which checkpoint_comm files are stored. Only used
+        when ``checkpoint_comm`` is not None. Each group of ranks sharing
+        a checkpoint_comm creates a temporary subdirectory here. This
+        directory must be accessible from all ranks within each
+        checkpoint_comm group. For example, using a node-local path like
+        /tmp is safe when checkpoint_comm groups ranks on the same node,
+        but would fail if checkpoint_comm spans nodes whose filesystems
+        are not shared.
     """
     tape = get_working_tape()
     if "firedrake" not in tape._package_data:
-        tape._package_data["firedrake"] = DiskCheckpointer(dirname, comm, cleanup)
+        tape._package_data["firedrake"] = DiskCheckpointer(
+            dirname, comm, cleanup, checkpoint_comm, checkpoint_dir
+        )
 
 
 def disk_checkpointing():
@@ -120,14 +147,29 @@ def __exit__(self, *args):
 
 class CheckPointFileReference:
     """A filename which deletes the associated file when it is destroyed."""
-    def __init__(self, name, comm, cleanup=False):
+    def __init__(self, name, comm, cleanup=False, checkpoint_comm=None):
         self.name = name
         self.comm = comm
         self.cleanup = cleanup
+        self.checkpoint_comm = checkpoint_comm
 
     def __del__(self):
-        if self.cleanup and self.comm.rank == 0 and os.path.exists(self.name):
-            os.remove(self.name)
+        if self.cleanup and os.path.exists(self.name):
+            if self.comm.rank == 0:
+                os.remove(self.name)
+        # Prune the index-tracking entry for this file from CheckpointFunction.
+        # This is safe for the following reasons:
+        # (1) CheckpointFunction holds self.file as a direct strong reference,
+        #     so __del__ here can only fire after every CheckpointFunction that
+        #     wrote to this filepath has already been garbage-collected.
+        # (2) restore() never reads _checkpoint_indices — it uses stored_name
+        #     and stored_index baked into the CheckpointFunction at save time.
+        # (3) Under revolve schedules the tape checkpoint store holds the
+        #     CheckPointFileReference alive until forward re-execution is done,
+        #     so there is no risk of premature pruning.
+        # (4) pop is a no-op for init files where no CheckpointFunction ever
+        #     wrote an entry (e.g. checkpointable_mesh files).
+        CheckpointFunction._checkpoint_indices.pop(self.name, None)
 
 
 class DiskCheckpointer(TapePackageData):
@@ -136,52 +178,128 @@ class DiskCheckpointer(TapePackageData):
     Parameters
     ----------
     dirname : str
-        The directory in which the disk checkpoints should be stored. If not
-        specified then the current working directory is used. Checkpoints are
-        stored in a temporary subdirectory of this directory.
+        The directory in which the shared disk checkpoints should be stored.
+        If not specified then the current working directory is used.
+        Checkpoints are stored in a temporary subdirectory of this directory.
     comm : mpi4py.MPI.Intracomm
         The MPI communicator over which the computation to be disk checkpointed
         is defined. This will usually match the communicator on which the
         mesh(es) are defined.
     cleanup : bool
         If set to False, checkpoint files will not be deleted when no longer
         required. This is usually only useful for debugging.
+    checkpoint_comm : mpi4py.MPI.Intracomm or None
+        If specified, function data is checkpointed on this communicator.
+    checkpoint_dir : str or None
+        Directory for checkpoint_comm files. This directory must be
+        accessible from all ranks within each checkpoint_comm group.
+        For example, using a node-local path like /tmp is safe when
+        checkpoint_comm groups ranks on the same node, but would fail
+        if checkpoint_comm spans nodes whose filesystems are not shared.
     """
 
-    def __init__(self, dirname=None, comm=COMM_WORLD, cleanup=True):
-
-        if comm.rank == 0:
-            self.dirname = comm.bcast(tempfile.mkdtemp(
-                prefix="firedrake_adjoint_checkpoint_", dir=dirname or os.getcwd()
-            ))
-        else:
-            self.dirname = comm.bcast("")
+    def __init__(self, dirname=None, comm=COMM_WORLD, cleanup=True,
+                 checkpoint_comm=None, checkpoint_dir=None):
+        self.checkpoint_comm = checkpoint_comm
         self.comm = comm
         self.cleanup = cleanup
+
+        # Shared directory (for mesh checkpoint and init data). The bcast
+        # uses comm (COMM_WORLD) so every rank knows the shared path.
+        path = tempfile.mkdtemp(
+            prefix="firedrake_adjoint_checkpoint_", dir=dirname or os.getcwd()
+        ) if comm.rank == 0 else None
+        self.dirname = comm.bcast(path)
         if self.cleanup and comm.rank == 0:
-            # Delete the checkpoint folder on process exit.
+            # Delete the shared checkpoint folder on process exit.
             atexit.register(shutil.rmtree, self.dirname)
-        # # A checkpoint file holding the state of block variables set outside
-        # the tape.
-        self.init_checkpoint_file = self.new_checkpoint_file()
-        self.current_checkpoint_file = self.new_checkpoint_file()
 
-    def new_checkpoint_file(self):
-        """Set up a disk checkpointing file."""
+        # Local directory (for function data on checkpoint_comm). The bcast
+        # uses checkpoint_comm, not comm: only ranks within the same
+        # checkpoint_comm group share a local filesystem, so we must not
+        # perform a COMM_WORLD collective here.
+        if self.checkpoint_comm is not None:
+            if checkpoint_dir is None:
+                warnings.warn(
+                    "checkpoint_comm without checkpoint_dir defaults to cwd, "
+                    "which is usually on the shared filesystem. Without a "
+                    "node-local path the collective CheckpointFile is more "
+                    "suitable. Consider setting checkpoint_dir.",
+                    UserWarning
+                )
+            base_dir = checkpoint_dir or os.getcwd()
+            if checkpoint_comm.rank == 0:
+                # ignore_cleanup_errors avoids tracebacks if the finalizer fires
+                # during interpreter shutdown after MPI has already finalized.
+                self._local_tmpdir = tempfile.TemporaryDirectory(
+                    prefix="firedrake_adjoint_checkpoint_cc_",
+                    dir=base_dir,
+                    delete=cleanup,
+                    ignore_cleanup_errors=True,
+                )
+                local_path = self._local_tmpdir.name
+            else:
+                self._local_tmpdir = None
+                local_path = None
+            self._local_dirname = checkpoint_comm.bcast(local_path)
+        else:
+            self._local_tmpdir = None
+            self._local_dirname = None
+
+        # A checkpoint file holding the state of block variables set outside
+        # the tape (always shared, used by checkpointable_mesh).
+        self.init_checkpoint_file = self._new_shared_checkpoint_file()
+        self.current_checkpoint_file = self._new_checkpoint_file()
+
+    def _new_shared_checkpoint_file(self):
+        """Set up a shared disk checkpointing file (all ranks use same file)."""
         from firedrake.checkpointing import CheckpointFile
         if self.comm.rank == 0:
-            _, checkpoint_file = tempfile.mkstemp(
-                dir=self.dirname, suffix=".h5"
-            )
-            checkpoint_file = self.comm.bcast(checkpoint_file)
+            _, checkpoint_file = tempfile.mkstemp(dir=self.dirname, suffix=".h5")
         else:
-            checkpoint_file = self.comm.bcast("")
+            checkpoint_file = None
+        checkpoint_file = self.comm.bcast(checkpoint_file)
         # Let h5py create a file at this location just to be sure.
-        with CheckpointFile(checkpoint_file, 'w'):
+        with CheckpointFile(checkpoint_file, 'w', comm=self.comm):
             pass
         return CheckPointFileReference(checkpoint_file, self.comm,
                                        self.cleanup)
 
+    def _new_checkpoint_comm_file(self):
+        """Set up a checkpoint file on the checkpoint communicator."""
+        from firedrake.checkpointing import TemporaryFunctionCheckpointFile
+        if self.checkpoint_comm.rank == 0:
+            fd, filepath = tempfile.mkstemp(dir=self._local_dirname, suffix=".h5")
+            os.close(fd)
+        else:
+            filepath = None
+        filepath = self.checkpoint_comm.bcast(filepath)
+        # Initialise an empty HDF5 file. Opened in 'w' mode and immediately
+        # closed so that subsequent 'a' opens from save_function find a valid
+        # file.
+        with TemporaryFunctionCheckpointFile(self.checkpoint_comm, filepath, 'w'):
+            pass
+        return CheckPointFileReference(filepath, self.checkpoint_comm, self.cleanup,
+                                       checkpoint_comm=self.checkpoint_comm)
+
+    def _new_checkpoint_file(self):
+        """Set up a checkpoint file for function data."""
+        if self.checkpoint_comm is not None:
+            return self._new_checkpoint_comm_file()
+        else:
+            return self._new_shared_checkpoint_file()
+
+    def new_checkpoint_file(self):
+        """Set up a disk checkpointing file."""
+        warnings.warn(
+            "'new_checkpoint_file' is deprecated and will be removed in a "
+            "future release. Checkpoint file management is now handled "
+            "internally; to advance to a new checkpoint file call "
+            "'reset()' on the DiskCheckpointer instead.",
+            FutureWarning
+        )
+        return self._new_checkpoint_file()
+
     def clear(self, init=True):
         """Reset the DiskCheckPointer.
 
@@ -198,8 +316,8 @@ def clear(self, init=True):
         if not self.cleanup:
             return
         if init:
-            self.init_checkpoint_file = self.new_checkpoint_file()
-        self.current_checkpoint_file = self.new_checkpoint_file()
+            self.init_checkpoint_file = self._new_shared_checkpoint_file()
+        self.current_checkpoint_file = self._new_checkpoint_file()
 
     def reset(self):
         self.clear(init=False)
@@ -254,9 +372,9 @@ def checkpointable_mesh(mesh):
             "No current checkpoint file. Call enable_disk_checkpointing()."
         )
 
-    with CheckpointFile(checkpoint_file.name, 'a') as outfile:
+    with CheckpointFile(checkpoint_file.name, 'a', comm=checkpoint_file.comm) as outfile:
         outfile.save_mesh(mesh)
-    with CheckpointFile(checkpoint_file.name, 'r') as outfile:
+    with CheckpointFile(checkpoint_file.name, 'r', comm=checkpoint_file.comm) as outfile:
         return outfile.load_mesh(mesh.name)
 
 
@@ -290,7 +408,6 @@ class CheckpointFunction(CheckpointBase, OverloadedType):
     _checkpoint_indices = {}
 
     def __init__(self, function):
-        from firedrake.checkpointing import CheckpointFile
         self.name = function.name()
         self.mesh = function.function_space().mesh()
         self.file = current_checkpoint_file()
@@ -300,31 +417,70 @@ def __init__(self, function):
                 "No current checkpoint file. Call enable_disk_checkpointing()."
             )
 
+        self.count = function.count()
+
+        # Compute stored_name and stored_index once, shared by both checkpoint
+        # paths. stored_name encodes the function space (mesh name + element
+        # family/degree) so that functions on different meshes or spaces never
+        # collide. stored_index disambiguates successive saves of the same
+        # space to the same file.
+        from firedrake.checkpointing import _generate_function_space_name
         stored_names = CheckpointFunction._checkpoint_indices
         if self.file.name not in stored_names:
             stored_names[self.file.name] = {}
+        self.stored_name = _generate_function_space_name(function.function_space())
+        indices = stored_names[self.file.name]
+        indices.setdefault(self.stored_name, 0)
+        indices[self.stored_name] += 1
+        self.stored_index = indices[self.stored_name]
+
+        if self.file.checkpoint_comm is not None:
+            self._function_space = function.function_space()
+            self._save_local_checkpoint(function)
+        else:
+            self._save_shared_checkpoint(function)
 
-        self.count = function.count()
-        with CheckpointFile(self.file.name, 'a') as outfile:
-            self.stored_name = outfile._generate_function_space_name(
-                function.function_space()
-            )
-            indices = stored_names[self.file.name]
-            indices.setdefault(self.stored_name, 0)
-            indices[self.stored_name] += 1
-            self.stored_index = indices[self.stored_name]
+    def _save_shared_checkpoint(self, function):
+        """Save function data to a shared HDF5 file via CheckpointFile."""
+        from firedrake.checkpointing import CheckpointFile
+        with CheckpointFile(self.file.name, 'a', self.file.comm) as outfile:
             outfile.save_function(function, name=self.stored_name,
                                   idx=self.stored_index)
 
+    def _save_local_checkpoint(self, function):
+        """Save function data to a local HDF5 file via PETSc Vec I/O."""
+        from firedrake.checkpointing import TemporaryFunctionCheckpointFile
+        with TemporaryFunctionCheckpointFile(
+            self.file.checkpoint_comm, self.file.name, 'a'
+        ) as outfile:
+            outfile.save_function(function, self.stored_name, self.stored_index)
+
     def restore(self):
         """Read and return this Function from the checkpoint."""
-        from firedrake.checkpointing import CheckpointFile
-        with CheckpointFile(self.file.name, 'r') as infile:
-            function = infile.load_function(self.mesh, self.stored_name,
-                                            idx=self.stored_index)
+        if self.file.checkpoint_comm is not None:
+            function = self._restore_local_checkpoint()
+        else:
+            function = self._restore_shared_checkpoint()
         return type(function)(function.function_space(),
                               function.dat, name=self.name, count=self.count)
 
+    def _restore_shared_checkpoint(self):
+        """Load function data from a shared HDF5 file via :class:`.CheckpointFile`."""
+        from firedrake.checkpointing import CheckpointFile
+        with CheckpointFile(self.file.name, 'r', comm=self.file.comm) as infile:
+            return infile.load_function(self.mesh, self.stored_name,
+                                        idx=self.stored_index)
+
+    def _restore_local_checkpoint(self):
+        """Load function data via :class:`TemporaryFunctionCheckpointFile`."""
+        from firedrake.checkpointing import TemporaryFunctionCheckpointFile
+        with TemporaryFunctionCheckpointFile(
+            self.file.checkpoint_comm, self.file.name, 'r'
+        ) as infile:
+            return infile.load_function(
+                self._function_space, self.stored_name, self.stored_index
+            )
+
     def _ad_restore_at_checkpoint(self, checkpoint):
         return checkpoint.restore()