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Training with multiple data set #990

@mayankaditya

Description

@mayankaditya

Dear Admin,

I want to perform the training over two data sets with different stoichiometry using the following input flag:
"training" : {
"systems": ["data1", "data2"],
"set_prefix": "set",
"stop_batch": 100000,
"batch_size": "auto",
"seed": 1,
"_comment": " display and restart",
"_comment": " frequencies counted in batch",
"disp_file": "lcurve.out",
"disp_freq": 100,
"numb_test": 100,
"save_freq": 1000,
"save_ckpt": "model.ckpt",
"load_ckpt": "model.ckpt",
"disp_training":true,
}

I am getting the following error:

Traceback (most recent call last):
File "/usr/local/bin/dp", line 10, in
sys.exit(main())
File "/usr/local/lib/python3.9/site-packages/deepmd/main.py", line 73, in main
train(args)
File "/usr/local/lib/python3.9/site-packages/deepmd/train.py", line 87, in train
_do_work(jdata, run_opt)
File "/usr/local/lib/python3.9/site-packages/deepmd/train.py", line 128, in _do_work
data = DeepmdDataSystem(systems,
File "/usr/local/lib/python3.9/site-packages/deepmd/DataSystem.py", line 27, in init
self.data_systems.append(DeepmdData(ii,
File "/usr/local/lib/python3.9/site-packages/deepmd/Data.py", line 37, in init
self.test_dir = self.dirs[-1]
IndexError: list index out of range

Please advise.

Thanks,
Mayank

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