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init_cp2k

Function init_cp2k 

Source
pub fn init_cp2k(
    py: Python<'_>,
    nproc: u32,
    launcher_cmd: Option<Vec<String>>,
    env: Option<HashMap<String, String>>,
    working_dir: Option<String>,
    connect_timeout: f64,
) -> PyResult<()>
Expand description

Start the MPI worker and return once the socket is ready.

ยงParameters

nproc : int, optional Number of MPI ranks (default 1). Ignored when launcher_cmd is given. launcher_cmd : liststr, optional Complete launcher command prefix, e.g. ["srun", "-n", "8"]. env : dict[str, str], optional Extra environment variables forwarded to the worker. working_dir : str, optional Working directory for the worker process. connect_timeout : float, optional Seconds to wait for the worker to become ready (default 120).