Closed wjinjin closed 4 years ago
Hi, what is your test data like? Does it contain energy.npy
?
I checked and energy.npy file exists.
It is confirmed as a bug caused by https://github.com/deepmodeling/deepmd-kit/commit/5f770195991ee3cbb5a741e6020b35503aeb3436.
Now is there any way I can fix it? I already tried installing it again, but it still doesn't work.
Now is there any way I can fix it? I already tried installing it again, but it still doesn't work.
It has been already fixed by #166 and #167. You can git pull
to the newest version and reinstall it. (Or just replace /soft/anaconda3/lib/python3.7/site-packages/deepmd/test.py
with the newest test.py
file)
https://github.com/deepmodeling/deepmd-kit/blob/88da7169bb97bf91f0e9add8785cc307df8a10b6/source/train/test.py#L37-L47
The erros shows as follow: Traceback (most recent call last): File "/soft/anaconda3/bin/dp", line 10, in
sys.exit(main())
File "/soft/anaconda3/lib/python3.7/site-packages/deepmd/main.py", line 69, in main
test(args)
File "/soft/anaconda3/lib/python3.7/site-packages/deepmd/test.py", line 20, in test
test_ener(args)
File "/soft/anaconda3/lib/python3.7/site-packages/deepmd/test.py", line 64, in test_ener
l2e = (l2err (energy - test_data["energy"][:numb_test].reshape([-1,1])))
KeyError: 'energy'