pyiron · jan-janssen · Sep 7, 2025 · Sep 7, 2025 · Sep 7, 2025 · Sep 7, 2025
@@ -116,15 +116,16 @@ def submit( # type: ignore
  args: arguments for the submitted function
  kwargs: keyword arguments for the submitted function
  resource_dict (dict): A dictionary of resources required by the task. With the following keys:
- - cores (int): number of MPI cores to be used for each function call
- - threads_per_core (int): number of OpenMP threads to be used for each function call
- - gpus_per_core (int): number of GPUs per worker - defaults to 0
- - cwd (str/None): current working directory where the parallel python task is executed
- - openmpi_oversubscribe (bool): adds the `--oversubscribe` command line flag (OpenMPI and
- SLURM only) - default False
- - slurm_cmd_args (list): Additional command line arguments for the srun call (SLURM only)
- - error_log_file (str): Name of the error log file to use for storing exceptions raised
- by the Python functions submitted to the Executor.
+ - cores (int): number of MPI cores to be used for each function call
+ - threads_per_core (int): number of OpenMP threads to be used for each function call
+ - gpus_per_core (int): number of GPUs per worker - defaults to 0
+ - cwd (str/None): current working directory where the parallel python task is executed
+ - openmpi_oversubscribe (bool): adds the `--oversubscribe` command line flag (OpenMPI
+ and SLURM only) - default False
+ - slurm_cmd_args (list): Additional command line arguments for the srun call (SLURM
+ only)
+ - error_log_file (str): Name of the error log file to use for storing exceptions
+ raised by the Python functions submitted to the Executor.
 
  Returns:
  Future: A Future representing the given call.
@@ -147,12 +148,10 @@ def shutdown(self, wait: bool = True, *, cancel_futures: bool = False):
  methods can be called after this one.
 
  Args:
- wait: If True then shutdown will not return until all running
- futures have finished executing and the resources used by the
- parallel_executors have been reclaimed.
- cancel_futures: If True then shutdown will cancel all pending
- futures. Futures that are completed or running will not be
- cancelled.
+ wait: If True then shutdown will not return until all running futures have finished executing and the
+ resources used by the parallel_executors have been reclaimed.
+ cancel_futures: If True then shutdown will cancel all pending futures. Futures that are completed or running
+ will not be cancelled.
  """
  if self._future_queue is not None:
  if cancel_futures:
@@ -197,26 +196,26 @@ def _execute_multiple_tasks(
  Execute a single tasks in parallel using the message passing interface (MPI).
 
  Args:
- future_queue (queue.Queue): task queue of dictionary objects which are submitted to the parallel process
- cores (int): defines the total number of MPI ranks to use
- spawner (BaseSpawner): Spawner to start process on selected compute resources
- hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
- context of an HPC cluster this essential to be able to communicate to an
- Executor running on a different compute node within the same allocation. And
- in principle any computer should be able to resolve that their own hostname
- points to the same address as localhost. Still MacOS >= 12 seems to disable
- this look up for security reasons. So on MacOS it is required to set this
- option to true
- init_function (Callable): optional function to preset arguments for functions which are submitted later
- cache_directory (str, optional): The directory to store cache files. Defaults to "executorlib_cache".
- cache_key (str, optional): By default the cache_key is generated based on the function hash, this can be
- overwritten by setting the cache_key.
- queue_join_on_shutdown (bool): Join communication queue when thread is closed. Defaults to True.
- log_obj_size (bool): Enable debug mode which reports the size of the communicated objects.
- error_log_file (str): Name of the error log file to use for storing exceptions raised by the Python functions
- submitted to the Executor.
- worker_id (int): Communicate the worker which ID was assigned to it for future reference and resource
- distribution.
+future_queue (queue.Queue): task queue of dictionary objects which are submitted to the parallel process
+cores (int): defines the total number of MPI ranks to use
+spawner (BaseSpawner): Spawner to start process on selected compute resources
+hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
+context of an HPC cluster this essential to be able to communicate to an
+Executor running on a different compute node within the same allocation. And
+in principle any computer should be able to resolve that their own hostname
+points to the same address as localhost. Still MacOS >= 12 seems to disable
+this look up for security reasons. So on MacOS it is required to set this
+option to true
+init_function (Callable): optional function to preset arguments for functions which are submitted later
+cache_directory (str, optional): The directory to store cache files. Defaults to "executorlib_cache".
+cache_key (str, optional): By default the cache_key is generated based on the function hash, this can be
+overwritten by setting the cache_key.
+queue_join_on_shutdown (bool): Join communication queue when thread is closed. Defaults to True.
+log_obj_size (bool): Enable debug mode which reports the size of the communicated objects.
+error_log_file (str): Name of the error log file to use for storing exceptions raised by the Python functions
+submitted to the Executor.
+worker_id (int): Communicate the worker which ID was assigned to it for future reference and resource
+distribution.
  """
  interface = interface_bootup(
  command_lst=get_interactive_execute_command(

@@ -176,12 +176,12 @@ def _wrap_execute_task_in_separate_process(
  cores which can be used in parallel - just like the max_cores parameter. Using max_cores is
  recommended, as computers have a limited number of compute cores.
  hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
- context of an HPC cluster this essential to be able to communicate to an
- Executor running on a different compute node within the same allocation. And
- in principle any computer should be able to resolve that their own hostname
- points to the same address as localhost. Still MacOS >= 12 seems to disable
- this look up for security reasons. So on MacOS it is required to set this
- option to true
+context of an HPC cluster this essential to be able to communicate to an
+Executor running on a different compute node within the same allocation. And
+in principle any computer should be able to resolve that their own hostname
+points to the same address as localhost. Still MacOS >= 12 seems to disable
+this look up for security reasons. So on MacOS it is required to set this
+option to true
  Returns:
  RaisingThread, dict: thread for communicating with the python process which is executing the function and
  dictionary containing the future objects and the number of cores they require

@@ -116,15 +116,16 @@ def submit( # type: ignore
  args: arguments for the submitted function
  kwargs: keyword arguments for the submitted function
  resource_dict (dict): A dictionary of resources required by the task. With the following keys:
- - cores (int): number of MPI cores to be used for each function call
- - threads_per_core (int): number of OpenMP threads to be used for each function call
- - gpus_per_core (int): number of GPUs per worker - defaults to 0
- - cwd (str/None): current working directory where the parallel python task is executed
- - openmpi_oversubscribe (bool): adds the `--oversubscribe` command line flag (OpenMPI and
- SLURM only) - default False
- - slurm_cmd_args (list): Additional command line arguments for the srun call (SLURM only)
- - error_log_file (str): Name of the error log file to use for storing exceptions raised
- by the Python functions submitted to the Executor.
+ - cores (int): number of MPI cores to be used for each function call
+ - threads_per_core (int): number of OpenMP threads to be used for each function call
+ - gpus_per_core (int): number of GPUs per worker - defaults to 0
+ - cwd (str/None): current working directory where the parallel python task is executed
+ - openmpi_oversubscribe (bool): adds the `--oversubscribe` command line flag (OpenMPI
+ and SLURM only) - default False
+ - slurm_cmd_args (list): Additional command line arguments for the srun call (SLURM
+ only)
+ - error_log_file (str): Name of the error log file to use for storing exceptions
+ raised by the Python functions submitted to the Executor.
 
  Returns:
  Future: A Future representing the given call.
@@ -147,12 +148,10 @@ def shutdown(self, wait: bool = True, *, cancel_futures: bool = False):
  methods can be called after this one.
 
  Args:
- wait: If True then shutdown will not return until all running
- futures have finished executing and the resources used by the
- parallel_executors have been reclaimed.
- cancel_futures: If True then shutdown will cancel all pending
- futures. Futures that are completed or running will not be
- cancelled.
+ wait: If True then shutdown will not return until all running futures have finished executing and the
+ resources used by the parallel_executors have been reclaimed.
+ cancel_futures: If True then shutdown will cancel all pending futures. Futures that are completed or running
+ will not be cancelled.
  """
  if self._future_queue is not None:
  if cancel_futures:
@@ -197,26 +196,26 @@ def _execute_multiple_tasks(
  Execute a single tasks in parallel using the message passing interface (MPI).
 
  Args:
- future_queue (queue.Queue): task queue of dictionary objects which are submitted to the parallel process
- cores (int): defines the total number of MPI ranks to use
- spawner (BaseSpawner): Spawner to start process on selected compute resources
- hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
- context of an HPC cluster this essential to be able to communicate to an
- Executor running on a different compute node within the same allocation. And
- in principle any computer should be able to resolve that their own hostname
- points to the same address as localhost. Still MacOS >= 12 seems to disable
- this look up for security reasons. So on MacOS it is required to set this
- option to true
- init_function (Callable): optional function to preset arguments for functions which are submitted later
- cache_directory (str, optional): The directory to store cache files. Defaults to "executorlib_cache".
- cache_key (str, optional): By default the cache_key is generated based on the function hash, this can be
- overwritten by setting the cache_key.
- queue_join_on_shutdown (bool): Join communication queue when thread is closed. Defaults to True.
- log_obj_size (bool): Enable debug mode which reports the size of the communicated objects.
- error_log_file (str): Name of the error log file to use for storing exceptions raised by the Python functions
- submitted to the Executor.
- worker_id (int): Communicate the worker which ID was assigned to it for future reference and resource
- distribution.
+future_queue (queue.Queue): task queue of dictionary objects which are submitted to the parallel process
+cores (int): defines the total number of MPI ranks to use
+spawner (BaseSpawner): Spawner to start process on selected compute resources
+hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
+context of an HPC cluster this essential to be able to communicate to an
+Executor running on a different compute node within the same allocation. And
+in principle any computer should be able to resolve that their own hostname
+points to the same address as localhost. Still MacOS >= 12 seems to disable
+this look up for security reasons. So on MacOS it is required to set this
+option to true
+init_function (Callable): optional function to preset arguments for functions which are submitted later
+cache_directory (str, optional): The directory to store cache files. Defaults to "executorlib_cache".
+cache_key (str, optional): By default the cache_key is generated based on the function hash, this can be
+overwritten by setting the cache_key.
+queue_join_on_shutdown (bool): Join communication queue when thread is closed. Defaults to True.
+log_obj_size (bool): Enable debug mode which reports the size of the communicated objects.
+error_log_file (str): Name of the error log file to use for storing exceptions raised by the Python functions
+submitted to the Executor.
+worker_id (int): Communicate the worker which ID was assigned to it for future reference and resource
+distribution.
  """
  interface = interface_bootup(
  command_lst=get_interactive_execute_command(

@@ -176,12 +176,12 @@ def _wrap_execute_task_in_separate_process(
  cores which can be used in parallel - just like the max_cores parameter. Using max_cores is
  recommended, as computers have a limited number of compute cores.
  hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
- context of an HPC cluster this essential to be able to communicate to an
- Executor running on a different compute node within the same allocation. And
- in principle any computer should be able to resolve that their own hostname
- points to the same address as localhost. Still MacOS >= 12 seems to disable
- this look up for security reasons. So on MacOS it is required to set this
- option to true
+context of an HPC cluster this essential to be able to communicate to an
+Executor running on a different compute node within the same allocation. And
+in principle any computer should be able to resolve that their own hostname
+points to the same address as localhost. Still MacOS >= 12 seems to disable
+this look up for security reasons. So on MacOS it is required to set this
+option to true
  Returns:
  RaisingThread, dict: thread for communicating with the python process which is executing the function and
  dictionary containing the future objects and the number of cores they require

@@ -116,15 +116,16 @@ def submit( # type: ignore
  args: arguments for the submitted function
  kwargs: keyword arguments for the submitted function
  resource_dict (dict): A dictionary of resources required by the task. With the following keys:
- - cores (int): number of MPI cores to be used for each function call
- - threads_per_core (int): number of OpenMP threads to be used for each function call
- - gpus_per_core (int): number of GPUs per worker - defaults to 0
- - cwd (str/None): current working directory where the parallel python task is executed
- - openmpi_oversubscribe (bool): adds the `--oversubscribe` command line flag (OpenMPI and
- SLURM only) - default False
- - slurm_cmd_args (list): Additional command line arguments for the srun call (SLURM only)
- - error_log_file (str): Name of the error log file to use for storing exceptions raised
- by the Python functions submitted to the Executor.
+ - cores (int): number of MPI cores to be used for each function call
+ - threads_per_core (int): number of OpenMP threads to be used for each function call
+ - gpus_per_core (int): number of GPUs per worker - defaults to 0
+ - cwd (str/None): current working directory where the parallel python task is executed
+ - openmpi_oversubscribe (bool): adds the `--oversubscribe` command line flag (OpenMPI
+ and SLURM only) - default False
+ - slurm_cmd_args (list): Additional command line arguments for the srun call (SLURM
+ only)
+ - error_log_file (str): Name of the error log file to use for storing exceptions
+ raised by the Python functions submitted to the Executor.
 
  Returns:
  Future: A Future representing the given call.
@@ -147,12 +148,10 @@ def shutdown(self, wait: bool = True, *, cancel_futures: bool = False):
  methods can be called after this one.
 
  Args:
- wait: If True then shutdown will not return until all running
- futures have finished executing and the resources used by the
- parallel_executors have been reclaimed.
- cancel_futures: If True then shutdown will cancel all pending
- futures. Futures that are completed or running will not be
- cancelled.
+ wait: If True then shutdown will not return until all running futures have finished executing and the
+ resources used by the parallel_executors have been reclaimed.
+ cancel_futures: If True then shutdown will cancel all pending futures. Futures that are completed or running
+ will not be cancelled.
  """
  if self._future_queue is not None:
  if cancel_futures:
@@ -197,26 +196,26 @@ def _execute_multiple_tasks(
  Execute a single tasks in parallel using the message passing interface (MPI).
 
  Args:
- future_queue (queue.Queue): task queue of dictionary objects which are submitted to the parallel process
- cores (int): defines the total number of MPI ranks to use
- spawner (BaseSpawner): Spawner to start process on selected compute resources
- hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
- context of an HPC cluster this essential to be able to communicate to an
- Executor running on a different compute node within the same allocation. And
- in principle any computer should be able to resolve that their own hostname
- points to the same address as localhost. Still MacOS >= 12 seems to disable
- this look up for security reasons. So on MacOS it is required to set this
- option to true
- init_function (Callable): optional function to preset arguments for functions which are submitted later
- cache_directory (str, optional): The directory to store cache files. Defaults to "executorlib_cache".
- cache_key (str, optional): By default the cache_key is generated based on the function hash, this can be
- overwritten by setting the cache_key.
- queue_join_on_shutdown (bool): Join communication queue when thread is closed. Defaults to True.
- log_obj_size (bool): Enable debug mode which reports the size of the communicated objects.
- error_log_file (str): Name of the error log file to use for storing exceptions raised by the Python functions
- submitted to the Executor.
- worker_id (int): Communicate the worker which ID was assigned to it for future reference and resource
- distribution.
+future_queue (queue.Queue): task queue of dictionary objects which are submitted to the parallel process
+cores (int): defines the total number of MPI ranks to use
+spawner (BaseSpawner): Spawner to start process on selected compute resources
+hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
+context of an HPC cluster this essential to be able to communicate to an
+Executor running on a different compute node within the same allocation. And
+in principle any computer should be able to resolve that their own hostname
+points to the same address as localhost. Still MacOS >= 12 seems to disable
+this look up for security reasons. So on MacOS it is required to set this
+option to true
+init_function (Callable): optional function to preset arguments for functions which are submitted later
+cache_directory (str, optional): The directory to store cache files. Defaults to "executorlib_cache".
+cache_key (str, optional): By default the cache_key is generated based on the function hash, this can be
+overwritten by setting the cache_key.
+queue_join_on_shutdown (bool): Join communication queue when thread is closed. Defaults to True.
+log_obj_size (bool): Enable debug mode which reports the size of the communicated objects.
+error_log_file (str): Name of the error log file to use for storing exceptions raised by the Python functions
+submitted to the Executor.
+worker_id (int): Communicate the worker which ID was assigned to it for future reference and resource
+distribution.
  """
  interface = interface_bootup(
  command_lst=get_interactive_execute_command(

@@ -176,12 +176,12 @@ def _wrap_execute_task_in_separate_process(
  cores which can be used in parallel - just like the max_cores parameter. Using max_cores is
  recommended, as computers have a limited number of compute cores.
  hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
- context of an HPC cluster this essential to be able to communicate to an
- Executor running on a different compute node within the same allocation. And
- in principle any computer should be able to resolve that their own hostname
- points to the same address as localhost. Still MacOS >= 12 seems to disable
- this look up for security reasons. So on MacOS it is required to set this
- option to true
+context of an HPC cluster this essential to be able to communicate to an
+Executor running on a different compute node within the same allocation. And
+in principle any computer should be able to resolve that their own hostname
+points to the same address as localhost. Still MacOS >= 12 seems to disable
+this look up for security reasons. So on MacOS it is required to set this
+option to true
  Returns:
  RaisingThread, dict: thread for communicating with the python process which is executing the function and
  dictionary containing the future objects and the number of cores they require

@@ -116,15 +116,16 @@ def submit( # type: ignore
  args: arguments for the submitted function
  kwargs: keyword arguments for the submitted function
  resource_dict (dict): A dictionary of resources required by the task. With the following keys:
- - cores (int): number of MPI cores to be used for each function call
- - threads_per_core (int): number of OpenMP threads to be used for each function call
- - gpus_per_core (int): number of GPUs per worker - defaults to 0
- - cwd (str/None): current working directory where the parallel python task is executed
- - openmpi_oversubscribe (bool): adds the `--oversubscribe` command line flag (OpenMPI and
- SLURM only) - default False
- - slurm_cmd_args (list): Additional command line arguments for the srun call (SLURM only)
- - error_log_file (str): Name of the error log file to use for storing exceptions raised
- by the Python functions submitted to the Executor.
+ - cores (int): number of MPI cores to be used for each function call
+ - threads_per_core (int): number of OpenMP threads to be used for each function call
+ - gpus_per_core (int): number of GPUs per worker - defaults to 0
+ - cwd (str/None): current working directory where the parallel python task is executed
+ - openmpi_oversubscribe (bool): adds the `--oversubscribe` command line flag (OpenMPI
+ and SLURM only) - default False
+ - slurm_cmd_args (list): Additional command line arguments for the srun call (SLURM
+ only)
+ - error_log_file (str): Name of the error log file to use for storing exceptions
+ raised by the Python functions submitted to the Executor.
 
  Returns:
  Future: A Future representing the given call.
@@ -147,12 +148,10 @@ def shutdown(self, wait: bool = True, *, cancel_futures: bool = False):
  methods can be called after this one.
 
  Args:
- wait: If True then shutdown will not return until all running
- futures have finished executing and the resources used by the
- parallel_executors have been reclaimed.
- cancel_futures: If True then shutdown will cancel all pending
- futures. Futures that are completed or running will not be
- cancelled.
+ wait: If True then shutdown will not return until all running futures have finished executing and the
+ resources used by the parallel_executors have been reclaimed.
+ cancel_futures: If True then shutdown will cancel all pending futures. Futures that are completed or running
+ will not be cancelled.
  """
  if self._future_queue is not None:
  if cancel_futures:
@@ -197,26 +196,26 @@ def _execute_multiple_tasks(
  Execute a single tasks in parallel using the message passing interface (MPI).
 
  Args:
- future_queue (queue.Queue): task queue of dictionary objects which are submitted to the parallel process
- cores (int): defines the total number of MPI ranks to use
- spawner (BaseSpawner): Spawner to start process on selected compute resources
- hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
- context of an HPC cluster this essential to be able to communicate to an
- Executor running on a different compute node within the same allocation. And
- in principle any computer should be able to resolve that their own hostname
- points to the same address as localhost. Still MacOS >= 12 seems to disable
- this look up for security reasons. So on MacOS it is required to set this
- option to true
- init_function (Callable): optional function to preset arguments for functions which are submitted later
- cache_directory (str, optional): The directory to store cache files. Defaults to "executorlib_cache".
- cache_key (str, optional): By default the cache_key is generated based on the function hash, this can be
- overwritten by setting the cache_key.
- queue_join_on_shutdown (bool): Join communication queue when thread is closed. Defaults to True.
- log_obj_size (bool): Enable debug mode which reports the size of the communicated objects.
- error_log_file (str): Name of the error log file to use for storing exceptions raised by the Python functions
- submitted to the Executor.
- worker_id (int): Communicate the worker which ID was assigned to it for future reference and resource
- distribution.
+future_queue (queue.Queue): task queue of dictionary objects which are submitted to the parallel process
+cores (int): defines the total number of MPI ranks to use
+spawner (BaseSpawner): Spawner to start process on selected compute resources
+hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
+context of an HPC cluster this essential to be able to communicate to an
+Executor running on a different compute node within the same allocation. And
+in principle any computer should be able to resolve that their own hostname
+points to the same address as localhost. Still MacOS >= 12 seems to disable
+this look up for security reasons. So on MacOS it is required to set this
+option to true
+init_function (Callable): optional function to preset arguments for functions which are submitted later
+cache_directory (str, optional): The directory to store cache files. Defaults to "executorlib_cache".
+cache_key (str, optional): By default the cache_key is generated based on the function hash, this can be
+overwritten by setting the cache_key.
+queue_join_on_shutdown (bool): Join communication queue when thread is closed. Defaults to True.
+log_obj_size (bool): Enable debug mode which reports the size of the communicated objects.
+error_log_file (str): Name of the error log file to use for storing exceptions raised by the Python functions
+submitted to the Executor.
+worker_id (int): Communicate the worker which ID was assigned to it for future reference and resource
+distribution.
  """
  interface = interface_bootup(
  command_lst=get_interactive_execute_command(

@@ -176,12 +176,12 @@ def _wrap_execute_task_in_separate_process(
  cores which can be used in parallel - just like the max_cores parameter. Using max_cores is
  recommended, as computers have a limited number of compute cores.
  hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
- context of an HPC cluster this essential to be able to communicate to an
- Executor running on a different compute node within the same allocation. And
- in principle any computer should be able to resolve that their own hostname
- points to the same address as localhost. Still MacOS >= 12 seems to disable
- this look up for security reasons. So on MacOS it is required to set this
- option to true
+context of an HPC cluster this essential to be able to communicate to an
+Executor running on a different compute node within the same allocation. And
+in principle any computer should be able to resolve that their own hostname
+points to the same address as localhost. Still MacOS >= 12 seems to disable
+this look up for security reasons. So on MacOS it is required to set this
+option to true
  Returns:
  RaisingThread, dict: thread for communicating with the python process which is executing the function and
  dictionary containing the future objects and the number of cores they require

@@ -116,15 +116,16 @@ def submit( # type: ignore
  args: arguments for the submitted function
  kwargs: keyword arguments for the submitted function
  resource_dict (dict): A dictionary of resources required by the task. With the following keys:
- - cores (int): number of MPI cores to be used for each function call
- - threads_per_core (int): number of OpenMP threads to be used for each function call
- - gpus_per_core (int): number of GPUs per worker - defaults to 0
- - cwd (str/None): current working directory where the parallel python task is executed
- - openmpi_oversubscribe (bool): adds the `--oversubscribe` command line flag (OpenMPI and
- SLURM only) - default False
- - slurm_cmd_args (list): Additional command line arguments for the srun call (SLURM only)
- - error_log_file (str): Name of the error log file to use for storing exceptions raised
- by the Python functions submitted to the Executor.
+ - cores (int): number of MPI cores to be used for each function call
+ - threads_per_core (int): number of OpenMP threads to be used for each function call
+ - gpus_per_core (int): number of GPUs per worker - defaults to 0
+ - cwd (str/None): current working directory where the parallel python task is executed
+ - openmpi_oversubscribe (bool): adds the `--oversubscribe` command line flag (OpenMPI
+ and SLURM only) - default False
+ - slurm_cmd_args (list): Additional command line arguments for the srun call (SLURM
+ only)
+ - error_log_file (str): Name of the error log file to use for storing exceptions
+ raised by the Python functions submitted to the Executor.
 
  Returns:
  Future: A Future representing the given call.
@@ -147,12 +148,10 @@ def shutdown(self, wait: bool = True, *, cancel_futures: bool = False):
  methods can be called after this one.
 
  Args:
- wait: If True then shutdown will not return until all running
- futures have finished executing and the resources used by the
- parallel_executors have been reclaimed.
- cancel_futures: If True then shutdown will cancel all pending
- futures. Futures that are completed or running will not be
- cancelled.
+ wait: If True then shutdown will not return until all running futures have finished executing and the
+ resources used by the parallel_executors have been reclaimed.
+ cancel_futures: If True then shutdown will cancel all pending futures. Futures that are completed or running
+ will not be cancelled.
  """
  if self._future_queue is not None:
  if cancel_futures:
@@ -197,26 +196,26 @@ def _execute_multiple_tasks(
  Execute a single tasks in parallel using the message passing interface (MPI).
 
  Args:
- future_queue (queue.Queue): task queue of dictionary objects which are submitted to the parallel process
- cores (int): defines the total number of MPI ranks to use
- spawner (BaseSpawner): Spawner to start process on selected compute resources
- hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
- context of an HPC cluster this essential to be able to communicate to an
- Executor running on a different compute node within the same allocation. And
- in principle any computer should be able to resolve that their own hostname
- points to the same address as localhost. Still MacOS >= 12 seems to disable
- this look up for security reasons. So on MacOS it is required to set this
- option to true
- init_function (Callable): optional function to preset arguments for functions which are submitted later
- cache_directory (str, optional): The directory to store cache files. Defaults to "executorlib_cache".
- cache_key (str, optional): By default the cache_key is generated based on the function hash, this can be
- overwritten by setting the cache_key.
- queue_join_on_shutdown (bool): Join communication queue when thread is closed. Defaults to True.
- log_obj_size (bool): Enable debug mode which reports the size of the communicated objects.
- error_log_file (str): Name of the error log file to use for storing exceptions raised by the Python functions
- submitted to the Executor.
- worker_id (int): Communicate the worker which ID was assigned to it for future reference and resource
- distribution.
+future_queue (queue.Queue): task queue of dictionary objects which are submitted to the parallel process
+cores (int): defines the total number of MPI ranks to use
+spawner (BaseSpawner): Spawner to start process on selected compute resources
+hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
+context of an HPC cluster this essential to be able to communicate to an
+Executor running on a different compute node within the same allocation. And
+in principle any computer should be able to resolve that their own hostname
+points to the same address as localhost. Still MacOS >= 12 seems to disable
+this look up for security reasons. So on MacOS it is required to set this
+option to true
+init_function (Callable): optional function to preset arguments for functions which are submitted later
+cache_directory (str, optional): The directory to store cache files. Defaults to "executorlib_cache".
+cache_key (str, optional): By default the cache_key is generated based on the function hash, this can be
+overwritten by setting the cache_key.
+queue_join_on_shutdown (bool): Join communication queue when thread is closed. Defaults to True.
+log_obj_size (bool): Enable debug mode which reports the size of the communicated objects.
+error_log_file (str): Name of the error log file to use for storing exceptions raised by the Python functions
+submitted to the Executor.
+worker_id (int): Communicate the worker which ID was assigned to it for future reference and resource
+distribution.
  """
  interface = interface_bootup(
  command_lst=get_interactive_execute_command(

@@ -176,12 +176,12 @@ def _wrap_execute_task_in_separate_process(
  cores which can be used in parallel - just like the max_cores parameter. Using max_cores is
  recommended, as computers have a limited number of compute cores.
  hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
- context of an HPC cluster this essential to be able to communicate to an
- Executor running on a different compute node within the same allocation. And
- in principle any computer should be able to resolve that their own hostname
- points to the same address as localhost. Still MacOS >= 12 seems to disable
- this look up for security reasons. So on MacOS it is required to set this
- option to true
+context of an HPC cluster this essential to be able to communicate to an
+Executor running on a different compute node within the same allocation. And
+in principle any computer should be able to resolve that their own hostname
+points to the same address as localhost. Still MacOS >= 12 seems to disable
+this look up for security reasons. So on MacOS it is required to set this
+option to true
  Returns:
  RaisingThread, dict: thread for communicating with the python process which is executing the function and
  dictionary containing the future objects and the number of cores they require

@@ -116,15 +116,16 @@ def submit( # type: ignore
  args: arguments for the submitted function
  kwargs: keyword arguments for the submitted function
  resource_dict (dict): A dictionary of resources required by the task. With the following keys:
- - cores (int): number of MPI cores to be used for each function call
- - threads_per_core (int): number of OpenMP threads to be used for each function call
- - gpus_per_core (int): number of GPUs per worker - defaults to 0
- - cwd (str/None): current working directory where the parallel python task is executed
- - openmpi_oversubscribe (bool): adds the `--oversubscribe` command line flag (OpenMPI and
- SLURM only) - default False
- - slurm_cmd_args (list): Additional command line arguments for the srun call (SLURM only)
- - error_log_file (str): Name of the error log file to use for storing exceptions raised
- by the Python functions submitted to the Executor.
+ - cores (int): number of MPI cores to be used for each function call
+ - threads_per_core (int): number of OpenMP threads to be used for each function call
+ - gpus_per_core (int): number of GPUs per worker - defaults to 0
+ - cwd (str/None): current working directory where the parallel python task is executed
+ - openmpi_oversubscribe (bool): adds the `--oversubscribe` command line flag (OpenMPI
+ and SLURM only) - default False
+ - slurm_cmd_args (list): Additional command line arguments for the srun call (SLURM
+ only)
+ - error_log_file (str): Name of the error log file to use for storing exceptions
+ raised by the Python functions submitted to the Executor.
 
  Returns:
  Future: A Future representing the given call.
@@ -147,12 +148,10 @@ def shutdown(self, wait: bool = True, *, cancel_futures: bool = False):
  methods can be called after this one.
 
  Args:
- wait: If True then shutdown will not return until all running
- futures have finished executing and the resources used by the
- parallel_executors have been reclaimed.
- cancel_futures: If True then shutdown will cancel all pending
- futures. Futures that are completed or running will not be
- cancelled.
+ wait: If True then shutdown will not return until all running futures have finished executing and the
+ resources used by the parallel_executors have been reclaimed.
+ cancel_futures: If True then shutdown will cancel all pending futures. Futures that are completed or running
+ will not be cancelled.
  """
  if self._future_queue is not None:
  if cancel_futures:
@@ -197,26 +196,26 @@ def _execute_multiple_tasks(
  Execute a single tasks in parallel using the message passing interface (MPI).
 
  Args:
- future_queue (queue.Queue): task queue of dictionary objects which are submitted to the parallel process
- cores (int): defines the total number of MPI ranks to use
- spawner (BaseSpawner): Spawner to start process on selected compute resources
- hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
- context of an HPC cluster this essential to be able to communicate to an
- Executor running on a different compute node within the same allocation. And
- in principle any computer should be able to resolve that their own hostname
- points to the same address as localhost. Still MacOS >= 12 seems to disable
- this look up for security reasons. So on MacOS it is required to set this
- option to true
- init_function (Callable): optional function to preset arguments for functions which are submitted later
- cache_directory (str, optional): The directory to store cache files. Defaults to "executorlib_cache".
- cache_key (str, optional): By default the cache_key is generated based on the function hash, this can be
- overwritten by setting the cache_key.
- queue_join_on_shutdown (bool): Join communication queue when thread is closed. Defaults to True.
- log_obj_size (bool): Enable debug mode which reports the size of the communicated objects.
- error_log_file (str): Name of the error log file to use for storing exceptions raised by the Python functions
- submitted to the Executor.
- worker_id (int): Communicate the worker which ID was assigned to it for future reference and resource
- distribution.
+future_queue (queue.Queue): task queue of dictionary objects which are submitted to the parallel process
+cores (int): defines the total number of MPI ranks to use
+spawner (BaseSpawner): Spawner to start process on selected compute resources
+hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
+context of an HPC cluster this essential to be able to communicate to an
+Executor running on a different compute node within the same allocation. And
+in principle any computer should be able to resolve that their own hostname
+points to the same address as localhost. Still MacOS >= 12 seems to disable
+this look up for security reasons. So on MacOS it is required to set this
+option to true
+init_function (Callable): optional function to preset arguments for functions which are submitted later
+cache_directory (str, optional): The directory to store cache files. Defaults to "executorlib_cache".
+cache_key (str, optional): By default the cache_key is generated based on the function hash, this can be
+overwritten by setting the cache_key.
+queue_join_on_shutdown (bool): Join communication queue when thread is closed. Defaults to True.
+log_obj_size (bool): Enable debug mode which reports the size of the communicated objects.
+error_log_file (str): Name of the error log file to use for storing exceptions raised by the Python functions
+submitted to the Executor.
+worker_id (int): Communicate the worker which ID was assigned to it for future reference and resource
+distribution.
  """
  interface = interface_bootup(
  command_lst=get_interactive_execute_command(

@@ -176,12 +176,12 @@ def _wrap_execute_task_in_separate_process(
  cores which can be used in parallel - just like the max_cores parameter. Using max_cores is
  recommended, as computers have a limited number of compute cores.
  hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
- context of an HPC cluster this essential to be able to communicate to an
- Executor running on a different compute node within the same allocation. And
- in principle any computer should be able to resolve that their own hostname
- points to the same address as localhost. Still MacOS >= 12 seems to disable
- this look up for security reasons. So on MacOS it is required to set this
- option to true
+context of an HPC cluster this essential to be able to communicate to an
+Executor running on a different compute node within the same allocation. And
+in principle any computer should be able to resolve that their own hostname
+points to the same address as localhost. Still MacOS >= 12 seems to disable
+this look up for security reasons. So on MacOS it is required to set this
+option to true
  Returns:
  RaisingThread, dict: thread for communicating with the python process which is executing the function and
  dictionary containing the future objects and the number of cores they require

@@ -116,15 +116,16 @@ def submit( # type: ignore
  args: arguments for the submitted function
  kwargs: keyword arguments for the submitted function
  resource_dict (dict): A dictionary of resources required by the task. With the following keys:
- - cores (int): number of MPI cores to be used for each function call
- - threads_per_core (int): number of OpenMP threads to be used for each function call
- - gpus_per_core (int): number of GPUs per worker - defaults to 0
- - cwd (str/None): current working directory where the parallel python task is executed
- - openmpi_oversubscribe (bool): adds the `--oversubscribe` command line flag (OpenMPI and
- SLURM only) - default False
- - slurm_cmd_args (list): Additional command line arguments for the srun call (SLURM only)
- - error_log_file (str): Name of the error log file to use for storing exceptions raised
- by the Python functions submitted to the Executor.
+ - cores (int): number of MPI cores to be used for each function call
+ - threads_per_core (int): number of OpenMP threads to be used for each function call
+ - gpus_per_core (int): number of GPUs per worker - defaults to 0
+ - cwd (str/None): current working directory where the parallel python task is executed
+ - openmpi_oversubscribe (bool): adds the `--oversubscribe` command line flag (OpenMPI
+ and SLURM only) - default False
+ - slurm_cmd_args (list): Additional command line arguments for the srun call (SLURM
+ only)
+ - error_log_file (str): Name of the error log file to use for storing exceptions
+ raised by the Python functions submitted to the Executor.
 
  Returns:
  Future: A Future representing the given call.
@@ -147,12 +148,10 @@ def shutdown(self, wait: bool = True, *, cancel_futures: bool = False):
  methods can be called after this one.
 
  Args:
- wait: If True then shutdown will not return until all running
- futures have finished executing and the resources used by the
- parallel_executors have been reclaimed.
- cancel_futures: If True then shutdown will cancel all pending
- futures. Futures that are completed or running will not be
- cancelled.
+ wait: If True then shutdown will not return until all running futures have finished executing and the
+ resources used by the parallel_executors have been reclaimed.
+ cancel_futures: If True then shutdown will cancel all pending futures. Futures that are completed or running
+ will not be cancelled.
  """
  if self._future_queue is not None:
  if cancel_futures:
@@ -197,26 +196,26 @@ def _execute_multiple_tasks(
  Execute a single tasks in parallel using the message passing interface (MPI).
 
  Args:
- future_queue (queue.Queue): task queue of dictionary objects which are submitted to the parallel process
- cores (int): defines the total number of MPI ranks to use
- spawner (BaseSpawner): Spawner to start process on selected compute resources
- hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
- context of an HPC cluster this essential to be able to communicate to an
- Executor running on a different compute node within the same allocation. And
- in principle any computer should be able to resolve that their own hostname
- points to the same address as localhost. Still MacOS >= 12 seems to disable
- this look up for security reasons. So on MacOS it is required to set this
- option to true
- init_function (Callable): optional function to preset arguments for functions which are submitted later
- cache_directory (str, optional): The directory to store cache files. Defaults to "executorlib_cache".
- cache_key (str, optional): By default the cache_key is generated based on the function hash, this can be
- overwritten by setting the cache_key.
- queue_join_on_shutdown (bool): Join communication queue when thread is closed. Defaults to True.
- log_obj_size (bool): Enable debug mode which reports the size of the communicated objects.
- error_log_file (str): Name of the error log file to use for storing exceptions raised by the Python functions
- submitted to the Executor.
- worker_id (int): Communicate the worker which ID was assigned to it for future reference and resource
- distribution.
+future_queue (queue.Queue): task queue of dictionary objects which are submitted to the parallel process
+cores (int): defines the total number of MPI ranks to use
+spawner (BaseSpawner): Spawner to start process on selected compute resources
+hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
+context of an HPC cluster this essential to be able to communicate to an
+Executor running on a different compute node within the same allocation. And
+in principle any computer should be able to resolve that their own hostname
+points to the same address as localhost. Still MacOS >= 12 seems to disable
+this look up for security reasons. So on MacOS it is required to set this
+option to true
+init_function (Callable): optional function to preset arguments for functions which are submitted later
+cache_directory (str, optional): The directory to store cache files. Defaults to "executorlib_cache".
+cache_key (str, optional): By default the cache_key is generated based on the function hash, this can be
+overwritten by setting the cache_key.
+queue_join_on_shutdown (bool): Join communication queue when thread is closed. Defaults to True.
+log_obj_size (bool): Enable debug mode which reports the size of the communicated objects.
+error_log_file (str): Name of the error log file to use for storing exceptions raised by the Python functions
+submitted to the Executor.
+worker_id (int): Communicate the worker which ID was assigned to it for future reference and resource
+distribution.
  """
  interface = interface_bootup(
  command_lst=get_interactive_execute_command(

@@ -176,12 +176,12 @@ def _wrap_execute_task_in_separate_process(
  cores which can be used in parallel - just like the max_cores parameter. Using max_cores is
  recommended, as computers have a limited number of compute cores.
  hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
- context of an HPC cluster this essential to be able to communicate to an
- Executor running on a different compute node within the same allocation. And
- in principle any computer should be able to resolve that their own hostname
- points to the same address as localhost. Still MacOS >= 12 seems to disable
- this look up for security reasons. So on MacOS it is required to set this
- option to true
+context of an HPC cluster this essential to be able to communicate to an
+Executor running on a different compute node within the same allocation. And
+in principle any computer should be able to resolve that their own hostname
+points to the same address as localhost. Still MacOS >= 12 seems to disable
+this look up for security reasons. So on MacOS it is required to set this
+option to true
  Returns:
  RaisingThread, dict: thread for communicating with the python process which is executing the function and
  dictionary containing the future objects and the number of cores they require

@@ -116,15 +116,16 @@ def submit( # type: ignore
  args: arguments for the submitted function
  kwargs: keyword arguments for the submitted function
  resource_dict (dict): A dictionary of resources required by the task. With the following keys:
- - cores (int): number of MPI cores to be used for each function call
- - threads_per_core (int): number of OpenMP threads to be used for each function call
- - gpus_per_core (int): number of GPUs per worker - defaults to 0
- - cwd (str/None): current working directory where the parallel python task is executed
- - openmpi_oversubscribe (bool): adds the `--oversubscribe` command line flag (OpenMPI and
- SLURM only) - default False
- - slurm_cmd_args (list): Additional command line arguments for the srun call (SLURM only)
- - error_log_file (str): Name of the error log file to use for storing exceptions raised
- by the Python functions submitted to the Executor.
+ - cores (int): number of MPI cores to be used for each function call
+ - threads_per_core (int): number of OpenMP threads to be used for each function call
+ - gpus_per_core (int): number of GPUs per worker - defaults to 0
+ - cwd (str/None): current working directory where the parallel python task is executed
+ - openmpi_oversubscribe (bool): adds the `--oversubscribe` command line flag (OpenMPI
+ and SLURM only) - default False
+ - slurm_cmd_args (list): Additional command line arguments for the srun call (SLURM
+ only)
+ - error_log_file (str): Name of the error log file to use for storing exceptions
+ raised by the Python functions submitted to the Executor.
 
  Returns:
  Future: A Future representing the given call.
@@ -147,12 +148,10 @@ def shutdown(self, wait: bool = True, *, cancel_futures: bool = False):
  methods can be called after this one.
 
  Args:
- wait: If True then shutdown will not return until all running
- futures have finished executing and the resources used by the
- parallel_executors have been reclaimed.
- cancel_futures: If True then shutdown will cancel all pending
- futures. Futures that are completed or running will not be
- cancelled.
+ wait: If True then shutdown will not return until all running futures have finished executing and the
+ resources used by the parallel_executors have been reclaimed.
+ cancel_futures: If True then shutdown will cancel all pending futures. Futures that are completed or running
+ will not be cancelled.
  """
  if self._future_queue is not None:
  if cancel_futures:
@@ -197,26 +196,26 @@ def _execute_multiple_tasks(
  Execute a single tasks in parallel using the message passing interface (MPI).
 
  Args:
- future_queue (queue.Queue): task queue of dictionary objects which are submitted to the parallel process
- cores (int): defines the total number of MPI ranks to use
- spawner (BaseSpawner): Spawner to start process on selected compute resources
- hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
- context of an HPC cluster this essential to be able to communicate to an
- Executor running on a different compute node within the same allocation. And
- in principle any computer should be able to resolve that their own hostname
- points to the same address as localhost. Still MacOS >= 12 seems to disable
- this look up for security reasons. So on MacOS it is required to set this
- option to true
- init_function (Callable): optional function to preset arguments for functions which are submitted later
- cache_directory (str, optional): The directory to store cache files. Defaults to "executorlib_cache".
- cache_key (str, optional): By default the cache_key is generated based on the function hash, this can be
- overwritten by setting the cache_key.
- queue_join_on_shutdown (bool): Join communication queue when thread is closed. Defaults to True.
- log_obj_size (bool): Enable debug mode which reports the size of the communicated objects.
- error_log_file (str): Name of the error log file to use for storing exceptions raised by the Python functions
- submitted to the Executor.
- worker_id (int): Communicate the worker which ID was assigned to it for future reference and resource
- distribution.
+future_queue (queue.Queue): task queue of dictionary objects which are submitted to the parallel process
+cores (int): defines the total number of MPI ranks to use
+spawner (BaseSpawner): Spawner to start process on selected compute resources
+hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
+context of an HPC cluster this essential to be able to communicate to an
+Executor running on a different compute node within the same allocation. And
+in principle any computer should be able to resolve that their own hostname
+points to the same address as localhost. Still MacOS >= 12 seems to disable
+this look up for security reasons. So on MacOS it is required to set this
+option to true
+init_function (Callable): optional function to preset arguments for functions which are submitted later
+cache_directory (str, optional): The directory to store cache files. Defaults to "executorlib_cache".
+cache_key (str, optional): By default the cache_key is generated based on the function hash, this can be
+overwritten by setting the cache_key.
+queue_join_on_shutdown (bool): Join communication queue when thread is closed. Defaults to True.
+log_obj_size (bool): Enable debug mode which reports the size of the communicated objects.
+error_log_file (str): Name of the error log file to use for storing exceptions raised by the Python functions
+submitted to the Executor.
+worker_id (int): Communicate the worker which ID was assigned to it for future reference and resource
+distribution.
  """
  interface = interface_bootup(
  command_lst=get_interactive_execute_command(

@@ -176,12 +176,12 @@ def _wrap_execute_task_in_separate_process(
  cores which can be used in parallel - just like the max_cores parameter. Using max_cores is
  recommended, as computers have a limited number of compute cores.
  hostname_localhost (boolean): use localhost instead of the hostname to establish the zmq connection. In the
- context of an HPC cluster this essential to be able to communicate to an
- Executor running on a different compute node within the same allocation. And
- in principle any computer should be able to resolve that their own hostname
- points to the same address as localhost. Still MacOS >= 12 seems to disable
- this look up for security reasons. So on MacOS it is required to set this
- option to true
+context of an HPC cluster this essential to be able to communicate to an
+Executor running on a different compute node within the same allocation. And
+in principle any computer should be able to resolve that their own hostname
+points to the same address as localhost. Still MacOS >= 12 seems to disable
+this look up for security reasons. So on MacOS it is required to set this
+option to true
  Returns:
  RaisingThread, dict: thread for communicating with the python process which is executing the function and
  dictionary containing the future objects and the number of cores they require