source_list 指定任务执行前需要source生效的环境文件,module_list 则是加载的模块: "source_list":["/opt/Soft/cp2k-6.1.0/tools/toolchain/install/setup"],"module_list":[], 最后由command 来指定执行任务所需软件的可执行路径,group_size 指定DP-GEN将多少个计算任务安排为一个顺序执行的组,使用一个脚本...
"group_size": 50, "source_list": ["/opt/intel/oneapi/setvars.sh"] } } ] } 请注意检查fp的"command"部分,以及"resouce"下的"source_list"。 在本次示例中标记部分使用了VASP镜像(如需使用VASP镜像,请提供您的VASP授权凭证至bohrium@dp.tech邮箱)。 注:该machine.json模板基于aliyun平台书写,已部署在...
dpgen: data: source codes for preparing initial data of bulk and surf systems. generator: source codes for main process of deep generator. auto_test : source code for undertaking materials property analysis. remote : source code for automatically submiting scripts,maintaining job queues and collect...
{ "numb_node": 1, "numb_gpu": 1, "task_per_node": 2, "partition": "AdminGPU", "exclude_list": [], "source_list": [ ".../lmp_tf112_float.env" ], "module_list": [], "time_limit": "23:0:0", "qos": "data" }, "command": "lmp_serial", "group_size": 1 } ]...
I experiance that "dead" only after using or while using it. Other devices charging with same cable and charger are fine (macbook and samsung phones). It is first time facing that kind of issue so it will take me some time to evaluate how to ...
"train": { "command": "dp", "machine": { "batch_type": "Shell", "context_type": "local", "local_root": "./", "remote_root": "/home/user1234/work_path" }, "resources": { "number_node": 1, "cpu_per_node": 4, "gpu_per_node": 1, "group_size": 1, "source_list"...
classmethod register_sub_iteartion()[source] class dpgen.tools.auto_gen_param.System(system_prefix='')[source] Bases: object Attributes: index_system Methods add_sub_system get_sub_system register_sub_system register_system add_sub_system(idx2, files_list)[source] current_num_of_sub...
"您需提供授权凭证到 bohrium@dp.tech 邮箱获取VASP镜像名称", "on_demand":0 } } }, "resources": { "number_node": 1234567, "cpu_per_node": 32, "gpu_per_node": 0, "queue_name": "CPU", "group_size": 1, "local_root":"./", "source_list": ["/opt/intel/oneapi/setvars.sh"]...
"source_list": ["/opt/intel/oneapi/setvars.sh"] } } ] } property.json { "structures": ["confs/std-fcc"], "interaction": { "type": "vasp", "incar":"vasp_input/INCAR", "potcar_prefix" : "vasp_input", "potcars":{"Al": "POTCAR.al"} ...
{ "numb_node": 1, "task_per_node": 64, "partition": "compute", "exclude_list": [], "source_list": [], "module_list": [], "time_limit": "12:00:00", }, "python_path": "~/miniconda3/bin/python" } ], "model_devi": [ { "machine": { "machine_type": "slurm", "...