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Description
Hello,
I have some question about using DP5, as follows:
python PyDP4.py
Traceback (most recent call last):
File "PyDP4.py", line 39, in
import Tinker
File "/share/home/gehm1/1/DP4-AI/Tinker.py", line 16, in
import PyDP4
File "/share/home/gehm1/1/DP4-AI/PyDP4.py", line 41, in
import DP5 as DP5
File "/share/home/gehm1/1/DP4-AI/DP5.py", line 2, in
import qml
File "/share/home/gehm1/software/mambaforge/envs/DP55/lib/python3.8/site-packages/qml/init.py", line 37, in
from .compound import Compound
File "/share/home/gehm1/software/mambaforge/envs/DP55/lib/python3.8/site-packages/qml/compound.py", line 30, in
from .representations import generate_coulomb_matrix
File "/share/home/gehm1/software/mambaforge/envs/DP55/lib/python3.8/site-packages/qml/representations.py", line 28, in
from .frepresentations import fgenerate_coulomb_matrix
ImportError: /share/home/gehm1/software/mambaforge/envs/DP55/lib/python3.8/site-packages/qml/frepresentations.cpython-38-x86_64-linux-gnu.so: undefined symbol: dtrmm_
How to deal with this question? Any idea what is going on? Thanks