How to set different trust level for different sys_idx #745
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phyoung123
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Could you please provide your input parameter file ? Thanks |
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I set a list for "model_devi_f_trust_lo": [0.50, 0.40, 0.35, 0.32, 0.30], and "model_devi_f_trust_hi": [1.00, 1.00, 0.85, 0.80, 0.70] following the guidance of #609 to set different trust level for different sys_idx ,but I encountered an error as follow
Traceback (most recent call last):
File "/public1/home/scfa0089/.conda/envs/xufy/bin/dpgen", line 8, in
sys.exit(main())
File "/public1/home/scfa0089/.conda/envs/xufy/lib/python3.9/site-packages/dpgen/main.py", line 175, in main
args.func(args)
File "/public1/home/scfa0089/.conda/envs/xufy/lib/python3.9/site-packages/dpgen/generator/run.py", line 3236, in gen_run
run_iter (args.PARAM, args.MACHINE)
File "/public1/home/scfa0089/.conda/envs/xufy/lib/python3.9/site-packages/dpgen/generator/run.py", line 3219, in run_iter
make_fp (ii, jdata, mdata)
File "/public1/home/scfa0089/.conda/envs/xufy/lib/python3.9/site-packages/dpgen/generator/run.py", line 2491, in make_fp
make_fp_vasp(iter_index, jdata)
File "/public1/home/scfa0089/.conda/envs/xufy/lib/python3.9/site-packages/dpgen/generator/run.py", line 2265, in make_fp_vasp
fp_tasks = _make_fp_vasp_configs(iter_index, jdata)
File "/public1/home/scfa0089/.conda/envs/xufy/lib/python3.9/site-packages/dpgen/generator/run.py", line 2252, in _make_fp_vasp_configs
fp_tasks = _make_fp_vasp_inner(modd_path, work_path,
File "/public1/home/scfa0089/.conda/envs/xufy/lib/python3.9/site-packages/dpgen/generator/run.py", line 1757, in _make_fp_vasp_inner
f_trust_lo_sys = _trust_limitation_check(ss, f_trust_lo)
File "/public1/home/scfa0089/.conda/envs/xufy/lib/python3.9/site-packages/dpgen/generator/run.py", line 1746, in _trust_limitation_check
sys_lim = lim[sys_idx]
TypeError: list indices must be integers or slices, not str
How can I deal with this situation? Thank you.
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