global_hpc.json

{
    "apex_image_name":"zhuoyli/apex_arm64",
    "lammps_image_name": "zhuoyli/apex_arm64",
    "run_command":"lmp -in in.lammps",
    "group_size": 2,
    "batch_type": "Slurm",
    "context_type": "SSHContext",
    "local_root" : "./",
    "remote_root": "/hpc/home/hku/zyl/Downloads/remote_tasks",
    "remote_host": "***.**.**.**",
    "remote_username": "USERNAME",
    "remote_password": "PASSWD",
    "port": 22,
    "resources":{
        "number_node": 1,
        "cpu_per_node": 4,
        "gpu_per_node": 0,
        "queue_name": "apex_test",
        "group_size": 1,
        "module_list": ["deepmd-kit/2.1.0/cpu_binary_release"],
        "custom_flags": [
	        "#SBATCH --partition=xlong",
	        "#SBATCH --ntasks=4",
	        "#SBATCH --mem=10G",
	        "#SBATCH --nodes=1",
	        "#SBATCH --time=1-00:00:00"
        ]
    }
}