Error dp test

[wjinjin]

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'

[njzjz]

Hi, what is your test data like? Does it contain energy.npy?

[wjinjin]

I checked and energy.npy file exists.

[njzjz]

It is confirmed as a bug caused by 5f77019.

[wjinjin]

Now is there any way I can fix it? I already tried installing it again, but it still doesn't work.

[njzjz]

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)

deepmd-kit/source/train/test.py

Lines 37 to 47 in 88da716

	dp = DeepPot(args.model)
	data = DeepmdData(args.system, args.set_prefix, shuffle_test = args.shuffle_test, type_map = dp.get_type_map())
	data.add('energy', 1, atomic=False, must=False, high_prec=True)
	data.add('force', 3, atomic=True, must=False, high_prec=False)
	data.add('virial', 9, atomic=False, must=False, high_prec=False)
	if dp.get_dim_fparam() > 0:
	data.add('fparam', dp.get_dim_fparam(), atomic=False, must=True, high_prec=False)
	if dp.get_dim_aparam() > 0:
	data.add('aparam', dp.get_dim_aparam(), atomic=True, must=True, high_prec=False)
	test_data = data.get_test ()