Distinct notebook headlines and README table of contents

README.md

@@ -1,2 +1,9 @@
 # executorlib with SLURM 
-A number of example for applying [executorlib](https://executorlib.readthedocs.io/) on [CMTI](https://docs.mpcdf.mpg.de/doc/computing/clusters/systems/Sustainable_Materials.html).
+A number of examples for applying [executorlib](https://executorlib.readthedocs.io/) on [CMTI](https://docs.mpcdf.mpg.de/doc/computing/clusters/systems/Sustainable_Materials.html).
+
+## Table of Contents
+* [Getting Started](https://pyiron-dev.github.io/executorlib-with-slurm/slurm_demo_v1.html) - submit a serial function, an MPI-parallel function, and nested executors via SLURM
+* [Submission Errors](https://pyiron-dev.github.io/executorlib-with-slurm/slurm_error_v1.html) - inspect `sbatch` submission failures raised through a `Future`
+* [SLURM with Flux](https://pyiron-dev.github.io/executorlib-with-slurm/slurm_with_flux_v1.html) - run a nested [Flux](https://flux-framework.org) instance inside a SLURM allocation
+* [SLURM with LAMMPS](https://pyiron-dev.github.io/executorlib-with-slurm/slurm_with_lammps_v1.html) - couple executorlib with [pylammpsmpi](https://pylammpsmpi.readthedocs.io) for interactive MPI-parallel LAMMPS
+* [Nested SLURM Jobs](https://pyiron-dev.github.io/executorlib-with-slurm/slurm_with_nested_executor.html) - fan out many short tasks as job steps inside one SLURM allocation

slurm_demo_v1.ipynb

@@ -4,7 +4,7 @@
    "cell_type": "markdown",
    "id": "c1177617-771e-46bb-ae67-f5bf6d7b914f",
    "metadata": {},
-   "source": "# executorlib with SLURM \n[executorlib](https://executorlib.readthedocs.io) extends the `Executor` interface from the Python standard library's [`concurrent.futures`](https://docs.python.org/3/library/concurrent.futures.html) to distribute Python functions as jobs on an HPC cluster, without having to rewrite the functions themselves. This notebook walks through submitting a serial function, an MPI-parallel function, and nested executors via SLURM.\n\nBased on the [cmti and cmmg clusters](https://docs.mpcdf.mpg.de/doc/computing/clusters/systems/Sustainable_Materials.html) hosted at the MPCDF for the MPI for Sustainable Materials."
+   "source": "# Getting Started\n[executorlib](https://executorlib.readthedocs.io) extends the `Executor` interface from the Python standard library's [`concurrent.futures`](https://docs.python.org/3/library/concurrent.futures.html) to distribute Python functions as jobs on an HPC cluster, without having to rewrite the functions themselves. This notebook walks through submitting a serial function, an MPI-parallel function, and nested executors via SLURM.\n\nBased on the [cmti and cmmg clusters](https://docs.mpcdf.mpg.de/doc/computing/clusters/systems/Sustainable_Materials.html) hosted at the MPCDF for the MPI for Sustainable Materials."
   },
   {
    "cell_type": "code",

slurm_error_v1.ipynb

@@ -4,7 +4,7 @@
    "cell_type": "markdown",
    "id": "c1177617-771e-46bb-ae67-f5bf6d7b914f",
    "metadata": {},
-   "source": "# executorlib with SLURM \n[executorlib](https://executorlib.readthedocs.io) extends the `Executor` interface from the Python standard library's [`concurrent.futures`](https://docs.python.org/3/library/concurrent.futures.html) to distribute Python functions as jobs on an HPC cluster. This notebook deliberately submits a job with an incomplete `resource_dict` to show how `SlurmClusterExecutor` surfaces `sbatch` submission failures through the returned `Future`. See the [resource dictionary troubleshooting page](https://executorlib.readthedocs.io/en/latest/trouble_shooting.html#resource-dictionary) for the required keys.\n\nBased on the [cmti and cmmg clusters](https://docs.mpcdf.mpg.de/doc/computing/clusters/systems/Sustainable_Materials.html) hosted at the MPCDF for the MPI for Sustainable Materials."
+   "source": "# Submission Errors\n[executorlib](https://executorlib.readthedocs.io) extends the `Executor` interface from the Python standard library's [`concurrent.futures`](https://docs.python.org/3/library/concurrent.futures.html) to distribute Python functions as jobs on an HPC cluster. This notebook deliberately submits a job with an incomplete `resource_dict` to show how `SlurmClusterExecutor` surfaces `sbatch` submission failures through the returned `Future`. See the [resource dictionary troubleshooting page](https://executorlib.readthedocs.io/en/latest/trouble_shooting.html#resource-dictionary) for the required keys.\n\nBased on the [cmti and cmmg clusters](https://docs.mpcdf.mpg.de/doc/computing/clusters/systems/Sustainable_Materials.html) hosted at the MPCDF for the MPI for Sustainable Materials."
   },
   {
    "cell_type": "code",

slurm_with_flux_v1.ipynb

@@ -4,7 +4,7 @@
    "cell_type": "markdown",
    "id": "c1177617-771e-46bb-ae67-f5bf6d7b914f",
    "metadata": {},
-   "source": "# executorlib with SLURM \n[executorlib](https://executorlib.readthedocs.io) extends the `Executor` interface from the Python standard library's [`concurrent.futures`](https://docs.python.org/3/library/concurrent.futures.html) to distribute Python functions as jobs on an HPC cluster. This notebook shows how to run a [Flux](https://flux-framework.org) instance nested inside a SLURM allocation, see the [Flux section of the HPC Cluster Executor documentation](https://executorlib.readthedocs.io/en/latest/2-hpc-cluster.html#flux) for background.\n\nBased on the [cmti and cmmg clusters](https://docs.mpcdf.mpg.de/doc/computing/clusters/systems/Sustainable_Materials.html) hosted at the MPCDF for the MPI for Sustainable Materials."
+   "source": "# SLURM with Flux\n[executorlib](https://executorlib.readthedocs.io) extends the `Executor` interface from the Python standard library's [`concurrent.futures`](https://docs.python.org/3/library/concurrent.futures.html) to distribute Python functions as jobs on an HPC cluster. This notebook shows how to run a [Flux](https://flux-framework.org) instance nested inside a SLURM allocation, see the [Flux section of the HPC Cluster Executor documentation](https://executorlib.readthedocs.io/en/latest/2-hpc-cluster.html#flux) for background.\n\nBased on the [cmti and cmmg clusters](https://docs.mpcdf.mpg.de/doc/computing/clusters/systems/Sustainable_Materials.html) hosted at the MPCDF for the MPI for Sustainable Materials."
   },
   {
    "cell_type": "markdown",

slurm_with_lammps_v1.ipynb

@@ -3,7 +3,7 @@
   {
    "cell_type": "markdown",
    "id": "595b7bbc",
-   "source": "# executorlib with SLURM and LAMMPS\n[executorlib](https://executorlib.readthedocs.io) extends the `Executor` interface from the Python standard library's [`concurrent.futures`](https://docs.python.org/3/library/concurrent.futures.html) to distribute Python functions as jobs on an HPC cluster. This notebook couples executorlib with [pylammpsmpi](https://pylammpsmpi.readthedocs.io) to run an interactive, MPI-parallel [LAMMPS](https://www.lammps.org) molecular dynamics simulation inside a single persistent SLURM allocation. See the [pylammpsmpi integration guide](https://executorlib.readthedocs.io/en/latest/coupling.html#pylammpsmpi) for background.\n\nBased on the [cmti and cmmg clusters](https://docs.mpcdf.mpg.de/doc/computing/clusters/systems/Sustainable_Materials.html) hosted at the MPCDF for the MPI for Sustainable Materials.",
+   "source": "# SLURM with LAMMPS\n[executorlib](https://executorlib.readthedocs.io) extends the `Executor` interface from the Python standard library's [`concurrent.futures`](https://docs.python.org/3/library/concurrent.futures.html) to distribute Python functions as jobs on an HPC cluster. This notebook couples executorlib with [pylammpsmpi](https://pylammpsmpi.readthedocs.io) to run an interactive, MPI-parallel [LAMMPS](https://www.lammps.org) molecular dynamics simulation inside a single persistent SLURM allocation. See the [pylammpsmpi integration guide](https://executorlib.readthedocs.io/en/latest/coupling.html#pylammpsmpi) for background.\n\nBased on the [cmti and cmmg clusters](https://docs.mpcdf.mpg.de/doc/computing/clusters/systems/Sustainable_Materials.html) hosted at the MPCDF for the MPI for Sustainable Materials.",
    "metadata": {}
   },
   {

slurm_with_nested_executor.ipynb

@@ -3,7 +3,7 @@
   {
    "cell_type": "markdown",
    "id": "2148ffa0",
-   "source": "# executorlib with SLURM: Nested Executors\n[executorlib](https://executorlib.readthedocs.io) extends the `Executor` interface from the Python standard library's [`concurrent.futures`](https://docs.python.org/3/library/concurrent.futures.html) to distribute Python functions as jobs on an HPC cluster. This notebook submits a single outer SLURM job via `SlurmClusterExecutor`, which itself opens a second, nested `SlurmJobExecutor` to fan out many short-lived tasks as job steps within that same allocation. See the [HPC Job Executor documentation](https://executorlib.readthedocs.io/en/latest/3-hpc-job.html) for details on nesting executors.\n\nBased on the [cmti and cmmg clusters](https://docs.mpcdf.mpg.de/doc/computing/clusters/systems/Sustainable_Materials.html) hosted at the MPCDF for the MPI for Sustainable Materials.",
+   "source": "# Nested SLURM Jobs\n[executorlib](https://executorlib.readthedocs.io) extends the `Executor` interface from the Python standard library's [`concurrent.futures`](https://docs.python.org/3/library/concurrent.futures.html) to distribute Python functions as jobs on an HPC cluster. This notebook submits a single outer SLURM job via `SlurmClusterExecutor`, which itself opens a second, nested `SlurmJobExecutor` to fan out many short-lived tasks as job steps within that same allocation. See the [HPC Job Executor documentation](https://executorlib.readthedocs.io/en/latest/3-hpc-job.html) for details on nesting executors.\n\nBased on the [cmti and cmmg clusters](https://docs.mpcdf.mpg.de/doc/computing/clusters/systems/Sustainable_Materials.html) hosted at the MPCDF for the MPI for Sustainable Materials.",
    "metadata": {}
   },
   {