search

deepmodeling / dpgen

The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
https://docs.deepmodeling.com/projects/dpgen/
GNU Lesser General Public License v3.0
297 stars 173 forks source link

[BUG] A seed provided to descriptor #458

Closed swome closed 3 years ago

swome commented 3 years ago

When generating the input script of deepmd-kit in 00.train, dpgen will append an arguement 'seed' in 'descriptor'. The descriptor type is "hybrid". While in strict mode of deepmd-kit the arguement 'seed' is not allowed. And it presents such an error: "dargs.dargs.ArgumentKeyError: [at location model/descriptor] undefined keyseed is not allowed in strict mode"

njzjz commented 3 years ago

please provide the version you are using

swome commented 3 years ago

commit number of dpgen:5af1fd5 commit number of kit: 3588c2d. I guess simply turning off the strict mode will work

amcadmus commented 3 years ago

I transfer this issue to deepmodeling/dpgen

amcadmus commented 3 years ago

The reason of the issue is that the compatibility to deepmd-kit v2.0 does not consider the descriptor type hybrid

njzjz commented 3 years ago

Fixed by #459. Please try to use deepmodeling/dpgen@23e3bd31dd19b3f684fefacfef463ae3ec422491:

git checkout devel
git pull
pip install .