"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"]...
{ "task_per_node": 4, "numb_gpu": 1, "exclude_list": [], "with_mpi": false, "source_list": [], "module_list": [ "mpich/3.2.1-intel-2017.1", "vasp/5.4.4-intel-2017.1", "cuda/10.1" ], "time_limit": "120:0:0", "partition": "AdminGPU", "_comment": "that's All...
add_sub_system(idx2, files_list)[source] current_num_of_sub_systems = 0 current_num_of_system = 0 get_sub_system()[source] property index_system classmethod register_sub_system()[source] classmethod register_system()[source] dpgen.tools.auto_gen_param.auto_gen_param(args)[so...
Here is the error.log DeepModeling --- Version: 0.1.dev1626+gcc816d5 Date: Jul-01-2021 Path: /home/tfcao/miniconda3/lib/python3.9/site-packages/dpgen Reference --- Please cite: Yuzhi Zhang, Haidi Wang, Weijie Chen, Jinzhe Zeng, Linfeng Zhang, Han Wang, and Weinan E, DP-GEN: A ...
init_bulk_mdata_arginfo() → Argument[source]# Generate arginfo for dpgen init_bulk mdata. Returns: Argument arginfo dpgen.data.arginfo.init_bulk_variant_type_args() → list[Variant][source]# dpgen.data.arginfo.init_bulk_vasp_args() → list[Argument][source]# dpgen.data.arginfo....
database : source code for collecting data generated by DP-GEN and interface with database. examples : providing example JSON files. tests : unittest tools for developers. One can easily run DP-GEN with : dpgen TASK PARAM MACHINE where TASK is the key word, PARAM and MACHINE are both JSO...
One can download the source code of dpgen by git clone https://github.com/deepmodeling/dpgen.git then you may install DP-GEN easily by: cddpgen pip install --user. With this command, the dpgen executable is install to$HOME/.local/bin/dpgen. You may want to export thePATHby ...