machine_name: "Local_Test_Env"
root_dir: "." # <--- 请修改这里为你的实际路径

# 脚本库位置
script_dir: "config/scripts"

executors:
  # 1. 简单的本地命令 (如 NEP 训练)
  nep_local:
    type: "local"
    cmd: "nep"

  # 2. 复杂的本地脚本 (如 GPUMD)
  gpumd:
    type: "local"
    cmd: "gpumd" # 对应 config/scripts/gpumd.sh

  # 3. Slurm 提交测试 (VASP CPU)
  vasp_cpu:
    type: "local"
    cmd: "mpirun -np 1 vasp_std"