miniCOMBUST

Dependencies

• Catch++ Unit Testing (Header-only)
• PETSc:
  • Set PETSC_INSTALL_PATH to the locations of the PETSc folder containing the include and lib folders.
• AmgX

MiniCombust Job Generation Script

Overview

This bash script, .gen_job.sh, generates and manages jobs for the MiniCombust miniapp. It supports SLURM job generation, container-based execution, and various configuration options for running the application.

Usage

./.gen_job.sh [--build] [--nodes <nnodes>] [--mpi_procs <mpi_procs_per_node>]  [--gpus <ngpus>] 
              [--container <path>] [--results_name <name>] [--job_template <file>] 
              [--walltime <time>] [--enroot] [--nsys] [--ncu] [--prof_ranks <ranks>] 
              [--interactive_run] [--interactive]

Key Features

• Configurable node, GPU, and MPI process settings
• Container support (Enroot)
• Interactive and batch job modes
• Profiling options (Nsight Systems and NVIDIA Compute Profiler)
• Customizable job templates

Common Options

• --cells <modifier>: Cells modifier, mesh will have a total of (2*x)yz cells. Where x=y=z=.
• --particles <nparticles>: Number of particles to release each iteration.
• --niters <niters>: Number of iterations to run the minicombust simulations for.
• --build: build minicombust instead of running
• --nodes <number>: Set number of nodes
• --mpi_procs <number>: Set MPI processes per node
• --gpus <number>: Set number of GPUs
• --container <img/path>: Specify container img or path (sqshfs)
• --results_name <name>: Set results directory name, this is appended to results/CURRENT_DATE
• --job_template <file>: Specify job template file
• --walltime <time>: Set job walltime
• --enroot: Enable Enroot containerization, default is srun.
• --nsys: Enable Nsight Systems profiling
• --ncu: Enable NVIDIA Compute Profiler
• --prof_ranks <ranks>: Set ranks to profile
• --interactive: Run interactively within the container
• --jump_into_container: Jump into container, don't run minicombust.
• --no_container: Don't use containers. (Untested but implemented..)

Default options are set in defaults.sh

Examples

Build with enroot:

./gen_job.sh --interactive --enroot --build --results_name build_enroot/ --

Run with slurm interactively:

./gen_job.sh --results_name build_enroot/ --

Create batch slurm batch job:

./gen_job.sh --nodes 2 --mpi_procs 112 --gpus 8 --job_template job_templates/eos.job --results_name 2node_112proc_8gpu --

Output

Results are stored in results/CURRENT_DATE/RESULTS_NAME.

The script generates: A log file with configuration details A job file based on the specified template Both are saved in the designated results directory.

Job Submission

For non-interactive runs, the script automatically submits the generated job to SLURM using sbatch.

References

• (Parallel load-balancing for combustion with spray for large-scale simulation)[https://www.sciencedirect.com/science/article/pii/S0021999121000826?via%3Dihub#br0160]
• (Particle breakup) [https://d1wqtxts1xzle7.cloudfront.net/30787458/GetTRDoc-libre.pdf?1392132662=&response-content-disposition=inline%3B+filename%3DAn_experimental_and_computational_invest.pdf&Expires=1649411271&Signature=UjaWeJ468xnrPetPPHzfeTmawxW-0i7yUb39pAPXPzfpQ4AD2fdyijRPQ39KNj3UkIcxx4MoWysHGcaebDvLQTKvqye89ibtGhwkOxXAiZyfJZ1H2nPZGIWOdCqe6X15D4KGOGLYglb0o0SeuccQsh6pBNFNh1WAiEoqsYOf6aQhc2rl0hNO8s5lqYBodlGFjVFEaiNqkZu8t3U3AQ0TXukk10TmB1asHH69oyR5K9cTNcnarHlKAcnzd6BbIMJJFqE2nPYHTDHtOrELC-eRAhWqbJxyFNKfAMVUEldIn9cV5GHx7YYfKWzsBcI2tMwm1CuMsu9GHHptueA6jw__&Key-Pair-Id=APKAJLOHF5GGSLRBV4ZA#page=166]
• (Particle evaporation)[https://arc.aiaa.org/doi/10.2514/3.8264]
• (Particle breakup)[https://www.sciencedirect.com/science/article/pii/S0301932203001113?via=ihub]
• (Particle breakup parceling)[https://www.sciencedirect.com/science/article/pii/S1540748908002678#bb0085]