Error while using sys_probs #2020
krishnapitike
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This has been fixed in #1919. |
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Hello, I see the following error when I use sys_probs to manually set the probabilities of the data. The sum of all probabilities is equal to 1. I see the following error. The input file is provided at the end. Thanks in advance for your help.
error1:
File "~/anaconda3/envs/deepmd/lib/python3.9/site-packages/deepmd/utils/data_system.py", line 480, in _process_sys_probs
assert assigned_sum_prob <= 1, "the sum of assigned probability should be less than 1"
AssertionError: the sum of assigned probability should be less than 1
However if I set the total sum of probabilities to slightly smaller than 1, then I see the following error:
error2:
File "~/anaconda3/envs/deepmd/lib/python3.9/site-packages/deepmd/utils/data_system.py", line 488,
in _process_sys_probs
assert np.sum(ret_prob) == 1, "sum of probs should be 1"
AssertionError: sum of probs should be 1
input file:
{
"_comment": " model parameters",
"model": {
"type_map": ["Fe"],
"descriptor" :{
"type": "se_e2_a",
"sel": [128],
"rcut_smth": 0.50,
"rcut": 6.40,
"neuron": [25, 50, 100, 200],
"resnet_dt": false,
"axis_neuron": 16,
"seed": 1,
"_comment": " end descriptor"
},
"fitting_net" : {
"neuron": [240, 240, 240, 240],
"resnet_dt": true,
"seed": 2,
"_comment": " end fitting_net"
},
"_comment": " end model"
},
}
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