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"systems": ["../Si/set.000/"], should be "systems": ["../Si/"], |
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I have the same question . Have you settled this problem? |
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Hello, I'm simply trying to run Silicon training on the given database,
and getting error : IndexError: list index out of range
I'm looking for the mistake in the input file?
Thank you.
Here is the input file:
{
"_comment": " model parameters",
"model": {
"type_map": ["Si"],
"descriptor" :{
"type": "se_a",
"sel": [432],
"rcut_smth": 5.80,
"rcut": 6.00,
"neuron": [25, 50, 100],
"resnet_dt": false,
"axis_neuron": 16,
"seed": 1,
"_comment": " that's all"
},
"fitting_net" : {
"neuron": [240, 240, 240],
"resnet_dt": true,
"seed": 1,
"_comment": " that's all"
},
"_comment": " that's all"
},
}
Here is the ouput:
$ dp train SiTrialse_a.json
WARNING:tensorflow:From /home/marie/miniconda3/lib/python3.8/site-packages/tensorflow/python/compat/v2_compat.py:96: disable_resource_variables (from tensorflow.python.ops.variable_scope) is deprecated and will be removed in a future version.
Instructions for updating:
non-resource variables are not supported in the long term
WARNING:root:Environment variable KMP_BLOCKTIME is empty. Use the default value 0
WARNING:root:Environment variable KMP_AFFINITY is empty. Use the default value granularity=fine,verbose,compact,1,0
DEEPMD: _____ _____ __ __ _____ _ _ _
DEEPMD: | __ \ | __ \ | / || __ \ | | (_)| |
DEEPMD: | | | | ___ ___ | |__) || \ / || | | | ______ | | __ _ | |_
DEEPMD: | | | | / _ \ / _ | / | |/| || | | ||___|| |/ /| || __|
DEEPMD: | |__| || _/| /| | | | | || || | | < | || |
DEEPMD: |/ _| _||| || |_||____/ ||_|| __|
DEEPMD:
DEEPMD: Please read and cite:
DEEPMD: Wang, Zhang, Han and E, Comput.Phys.Comm. 228, 178-184 (2018)
DEEPMD:
DEEPMD: ---Summary of the training---------------------------------------
DEEPMD: installed to: /tmp/pip-req-build-yjnc2t_a/_skbuild/linux-x86_64-3.8/cmake-install
DEEPMD: source : v1.2.1-3-g30922e7
DEEPMD: source brach: HEAD
DEEPMD: source commit: 30922e7
DEEPMD: source commit at: 2020-09-14 22:49:07 +0800
DEEPMD: build float prec: double
DEEPMD: build with tf inc: /home/marie/miniconda3/lib/python3.8/site-packages/tensorflow/include;/home/marie/miniconda3/lib/python3.8/site-packages/tensorflow/include
DEEPMD: build with tf lib:
DEEPMD: running on: marie-Precision-7530
DEEPMD: CUDA_VISIBLE_DEVICES: unset
DEEPMD: num_intra_threads: 0
DEEPMD: num_inter_threads: 0
DEEPMD: -----------------------------------------------------------------
DEEPMD:
2021-06-14 17:42:45.161958: I tensorflow/core/platform/cpu_feature_guard.cc:143] Your CPU supports instructions that this TensorFlow binary was not compiled to use: SSE4.1 SSE4.2 AVX AVX2 FMA
2021-06-14 17:42:45.183237: I tensorflow/core/platform/profile_utils/cpu_utils.cc:102] CPU Frequency: 2699905000 Hz
2021-06-14 17:42:45.183626: I tensorflow/compiler/xla/service/service.cc:168] XLA service 0x5633e65d8eb0 initialized for platform Host (this does not guarantee that XLA will be used). Devices:
2021-06-14 17:42:45.183639: I tensorflow/compiler/xla/service/service.cc:176] StreamExecutor device (0): Host, Default Version
2021-06-14 17:42:45.183713: I tensorflow/core/common_runtime/process_util.cc:147] Creating new thread pool with default inter op setting: 3. Tune using inter_op_parallelism_threads for best performance.
Traceback (most recent call last):
File "/home/marie/miniconda3/bin/dp", line 10, in
sys.exit(main())
File "/home/marie/miniconda3/lib/python3.8/site-packages/deepmd/main.py", line 66, in main
train(args)
File "/home/marie/miniconda3/lib/python3.8/site-packages/deepmd/train.py", line 81, in train
_do_work(jdata, run_opt)
File "/home/marie/miniconda3/lib/python3.8/site-packages/deepmd/train.py", line 122, in _do_work
data = DeepmdDataSystem(systems,
File "/home/marie/miniconda3/lib/python3.8/site-packages/deepmd/DataSystem.py", line 27, in init
self.data_systems.append(DeepmdData(ii,
File "/home/marie/miniconda3/lib/python3.8/site-packages/deepmd/Data.py", line 37, in init
self.test_dir = self.dirs[-1]
IndexError: list index out of range
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