mmml mpi-launch¶
Launch OpenMPI with an explicit JAX execution policy.
Usage¶
mmml mpi-launch --help
Options¶
usage: mmml mpi-launch [-h] [--mpi-ranks MPI_RANKS]
[--jax-mode {cpu-threaded,gpu-single,gpu-per-rank,rank0,spatial}]
[--jax-cpu-threads JAX_CPU_THREADS]
[--charmm-omp-threads CHARMM_OMP_THREADS]
[--preset {single,cpu,spatial}] [--strict-resources]
[--dry-run]
...
Launch CHARMM/OpenMPI with an independent JAX device/thread policy. When invoked
through 'uv run', the active uv interpreter is used on every rank.
positional arguments:
command
Execution:
--mpi-ranks MPI_RANKS
--jax-cpu-threads JAX_CPU_THREADS
--charmm-omp-threads CHARMM_OMP_THREADS
--preset {single,cpu,spatial}
Diagnostics & safety:
-h, --help show this help message and exit
--strict-resources
--dry-run
Other options:
--jax-mode {cpu-threaded,gpu-single,gpu-per-rank,rank0,spatial}