wiki/software_usage/DP-GEN/

[giscus[bot]]

wiki/software_usage/DP-GEN/

https://wiki.cheng-group.net/wiki/software_usage/DP-GEN/

[Wangfeiteng1]

DPGEN Version: 0.10.3.dev35+g4aec448.d20220108这个版本在进行势函数训练时，无法正确读取fp的相关参数而报如下错误：------------
Traceback (most recent call last):
File "/data/home/ftwang/miniconda3/bin/dpgen", line 33, in
sys.exit(load_entry_point('dpgen==0.10.3.dev35+g4aec448.d20220108', 'console_scripts', 'dpgen')())
File "/data/home/ftwang/miniconda3/lib/python3.9/site-packages/dpgen-0.10.3.dev35+g4aec448.d20220108-py3.9.egg/dpgen/main.py", line 175, in main
args.func(args)
File "/data/home/ftwang/miniconda3/lib/python3.9/site-packages/dpgen-0.10.3.dev35+g4aec448.d20220108-py3.9.egg/dpgen/generator/run.py", line 3292, in gen_run
run_iter(args.PARAM, args.MACHINE)
File "/data/home/ftwang/miniconda3/lib/python3.9/site-packages/dpgen-0.10.3.dev35+g4aec448.d20220108-py3.9.egg/dpgen/generator/run.py", line 3278, in run_iter
run_fp(ii, jdata, mdata)
File "/data/home/ftwang/miniconda3/lib/python3.9/site-packages/dpgen-0.10.3.dev35+g4aec448.d20220108-py3.9.egg/dpgen/generator/run.py", line 2707, in run_fp
print_flag = jdata['fp_params']['FORCE_EVAL']['DFT'].get('PRINT', None)
KeyError: 'fp_params'

[Wangfeiteng1]

解决方案：更新DPGEN版本，命令：pip install --upgrade dpgen