isayev / ASE_ANI

ANI-1 neural net potential with python interface (ASE)
MIT License
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libAEV.so can not open #25

Open Gvinkc opened 5 years ago

Gvinkc commented 5 years ago

Hi, can you please help on the following error? File "ani_quicktest.py", line 6, in from ase_interface import ANIENS File "/ASE_ANI/examples/ase_interface.py", line 20, in import pyNeuroChem as pync ImportError: libAEV.so: cannot open shared object file: No such file or directory

isayev commented 5 years ago

Please check if you set proper environment variables. Have a look at examples in bashrc_example.sh and env.sh

UnixJunkie commented 11 months ago

This should solve your problem:

export LD_LIBRARY_PATH=/usr/local/cuda-9.2/lib64:${HOME}/src/ASE_ANI/lib:${LD_LIBRARY_PATH}

This issue could be closed.