warning: ghost idx out of upper bound #27
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feng-phoenix-wang
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Have you solved this problem? I had the same problem when I called the dp_test script. I found that the atom type is inconsistent with the type.raw file. I didn't see the same warnings after the correction. I hope it can help you. |
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I have already wrapped the coordination and increased sel_a to a very large number. But there are always this warnings. How could solve this type of warnings?
{
"_comment": " model parameters",
"use_smooth": false,
"sel_a": [ 190, 190, 190],
"sel_r": [ 190, 190, 190 ],
"rcut_a": -1,
"rcut": 6.2,
"axis_rule": [
0, 1, 0,
0, 1, 1,
0, 0, 0,
0, 1, 0,
0, 0, 0,
0, 0, 1
],
"fitting_neuron": [
240,
80,
20,
10
],
"systems": [
"../data/data/"
],
"set_prefix": "set",
"stop_batch": 1000000,
"batch_size": 8,
"start_lr": 0.001,
"decay_steps": 4000,
"decay_rate": 0.95,
"start_pref_e": 0.02,
"limit_pref_e": 12,
"start_pref_f": 1000,
"limit_pref_f": 1,
"start_pref_v": 0,
"limit_pref_v": 0,
"num_threads": 4,
"seed": 1,
"disp_file": "lcurve.out",
"disp_freq": 100,
"numb_test": 100,
"save_freq": 2000,
"save_ckpt": "model.ckpt",
"restart": false,
"load_ckpt": "model.ckpt",
"disp_training": true,
"time_training": true
}
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