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dpgen机器文件配置问题

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Post time: 2021-05-16 23:17:39
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大家好,想请教各位一个关于machine文件的问题。我在跑CH4例子的时候,准备了下面的machine.json文件,但是我用dpgen init_bulk运行的时候在dpgen.log文件中出现了:2021-05-16 23:10:16,329 - INFO : cannot find key "batch" in machine file, try to use deprecated key "machine_type"。本人刚学习dpgen,菜鸟一枚,还望哪位大神能指点迷津,非常感谢。
{
    "deepmd_path":        "/public/zhouguobing/anaconda3/bin/",
    "python_path":      "/public/zhouguobing/anaconda3/lib/python3.8",
    "train_machine":        {
        "machine_type":  "pbs",
        "hostname" :        "172.16.0.167",
        "port" :        22,
        "username":        "zhouguobing",
        "work_path" :        "/public/zhouguobing/gbzhou/dpgen/init/",
        "_comment" :        "that's all"
    },
    "train_resources":        {
        "numb_node":        1,
        "task_per_node":8,
        "partition" : "cu",
        "exclude_list" : [],
        "source_list":        [ "public/zhouguobing/anaconda3/bin/activate" ],
        "module_list":        [ ],
        "time_limit":        "23:0:0",
        "mem_limit":        32,
        "_comment":        "that's all"
    },

    "lmp_command":        "/public/zhouguobing/software/lammps-22Aug18/src/lmp_mpi",
    "_comment":                "model_devi on localhost",
    "model_devi_machine":        {
        "machine_type": "pbs",
        "hostname" :        "172.16.0.167",
        "port" :        22,
        "username":        "zhouguobing",
        "work_path" :        "/public/zhouguobing/gbzhou/dpgen/init/",
        "_comment" :        "that's all"
    },
    "_comment": " if use GPU, numb_nodes(nn) should always be 1 ",
    "_comment": " if numb_nodes(nn) = 1 multi-threading rather than mpi is assumed",
    "model_devi_resources":        {
        "numb_node":        1,
        "task_per_node":1,
        "source_list":        [ ],
        "module_list":        [ ],
        "time_limit":        "19:0:0",
        "mem_limit":        32,
        "partition" : "cu",
        "_comment":        "that's all"
    },

    "_comment":         "fp on localhost ",
    "fp_command":       "/public/zhouguobing/software/vasp.5.4.1/bin/vasp_std",
    "fp_group_size":    1,
    "fp_machine":       {
        "machine_type": "pbs",
        "hostname" :    "172.16.0.167",
        "port" :        22,
        "username":     "zhouguobing",
        "work_path" :   "/public/zhouguobing/gbzhou/dpgen/init/",
        "_comment" :    "that's all"
    },
    "fp_resources":     {
        "numb_node":    1,
        "task_per_node":1,
        "exclude_list" : [],
        "source_list":  [],
        "module_list":  [],
        "with_mpi" : true,
        "time_limit":   "1:0:0",
        "partition" : "cu",
        "_comment":     "that's all"
    },


    "_comment":                " that's all "
}


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