@@ -2,8 +2,22 @@ Example Scheduler Submission Scripts
22====================================
33
44Below are example submission scripts used to configure and launch libEnsemble
5- on a variety of high-powered systems. See :ref: `here<platform-index> ` for more
6- information about the respective systems and configuration.
5+ on a variety of high-powered systems. See :ref: `Running on HPC Systems<platform-index> `
6+ for more information about the respective systems and configuration.
7+
8+ .. note ::
9+ It is **highly recommended ** that the directive lines (e.g., #SBATCH) in batch
10+ submission scripts do **NOT ** specify processor, task, or GPU configuration info
11+ --- these lines should only specify the number of nodes required.
12+
13+ For example, do not specify ``#SBATCH --gpus-per-node=4 `` in order to use four
14+ GPUs on the node, when each worker may use less than this, as this may assign
15+ all of the GPUs to a single MPI invocation. Instead, the configuration should
16+ be supplied either
17+ :doc: `in the simulation function<../examples/sim_funcs/forces_simf_gpu> `
18+ or, if using dynamic resources,
19+ :doc: `in the generator<../examples/sim_funcs/forces_simf_gpu_vary_resources> `.
20+
721
822General examples
923----------------
@@ -55,33 +69,26 @@ System Examples
5569 :caption: /examples/libE_submission_scripts/submit_pbs_polaris.sh
5670 :language: bash
5771
58- .. dropdown :: Bridges - Central Mode
72+ .. dropdown :: Bebop - Central Mode
5973
60- .. literalinclude :: ../../examples/libE_submission_scripts/bridges_submit_slurm_central .sh
61- :caption: /examples/libE_submission_scripts/bridges_submit_slurm_central .sh
74+ .. literalinclude :: ../../examples/libE_submission_scripts/bebop_submit_pbs_central .sh
75+ :caption: /examples/libE_submission_scripts/bebop_submit_pbs_central .sh
6276 :language: bash
6377
64- .. dropdown :: Bebop - Central Mode
78+ .. dropdown :: Bridges - MPI / Central Mode
6579
66- .. literalinclude :: ../../examples/libE_submission_scripts/bebop_submit_slurm_central .sh
67- :caption: /examples/libE_submission_scripts/bebop_submit_slurm_central .sh
80+ .. literalinclude :: ../../examples/libE_submission_scripts/bridges_submit_slurm_central .sh
81+ :caption: /examples/libE_submission_scripts/bridges_submit_slurm_central .sh
6882 :language: bash
6983
70- .. dropdown :: Bebop - Distributed Mode
84+ .. dropdown :: SLURM - MPI / Distributed Mode (co-locate workers & MPI applications)
7185
72- .. literalinclude :: ../../examples/libE_submission_scripts/bebop_submit_pbs_distrib .sh
73- :caption: /examples/libE_submission_scripts/bebop_submit_pbs_distrib .sh
86+ .. literalinclude :: ../../examples/libE_submission_scripts/submit_distrib_mpi4py .sh
87+ :caption: /examples/libE_submission_scripts/submit_distrib_mpi4py .sh
7488 :language: bash
7589
7690.. dropdown :: Summit (Decommissioned) - On Launch Nodes with Multiprocessing
7791
7892 .. literalinclude :: ../../examples/libE_submission_scripts/summit_submit_mproc.sh
7993 :caption: /examples/libE_submission_scripts/summit_submit_mproc.sh
8094 :language: bash
81-
82- .. dropdown :: Cobalt - Intermediate node with Multiprocessing
83-
84- .. literalinclude :: ../../examples/libE_submission_scripts/cobalt_submit_mproc.sh
85- :caption: /examples/libE_submission_scripts/cobalt_submit_mproc.sh
86- :language: bash
87-
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