isayev / ASE_ANI

ANI-1 neural net potential with python interface (ASE)
MIT License
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Import Error: cannot open shared object file: No such file or directory #37

Open hitarth64 opened 3 years ago

hitarth64 commented 3 years ago

I followed the steps as recommended by the readme file and example bashrc for configuring the models. I am facing the following error while trying to import ANIENS. I attach the command and the trace below. Could you please help me resolve this? I have checked if the LD_LIBRARY_PATH contains the required path and it does.

Command: from ase_interface import ANIENS

Trace: van Der Waals correction will be unavailable. Please install ased3

ImportError Traceback (most recent call last)

in ----> 1 from ase_interface import ANIENS /scratch/e/esargent/mxyptlkr/ml_potential/ASE_ANI/lib/ase_interface.py in 18 pass 19 ---> 20 import pyNeuroChem as pync 21 22 import multiprocessing ImportError: /scratch/e/esargent/mxyptlkr/ml_potential/ASE_ANI/lib/pyNeuroChem.so: cannot open shared object file: No such file or directory
Joey-Xue commented 3 years ago

Hi hitarth64, I've had the same issue when running ani_quicktest.py, I wonder if you have solved the problem. I've tried changing the path variable in bashrc but still got the same error. Thanks for any information!

hitarth64 commented 3 years ago

Hey Joey, Yeah - I was facing the same errors every time I tried; I switched the system I was working on, that fixed it for me. So, I think it is dependent on the architecture of your system maybe? Cheers!

Hi hitarth64, I've had the same issue when running ani_quicktest.py, I wonder if you have solved the problem. I've tried changing the path variable in bashrc but still got the same error. Thanks for any information!

UnixJunkie commented 11 months ago

Try this:

locate pyNeuroChem.so

Then append the dirname of that to your LD_LIBRARY_PATH env. var

UnixJunkie commented 11 months ago

I assume you are under a unix-like; if not then good luck.

pchuy1906 commented 5 months ago

Hello, I have the same problem here. Do you have any solution for this? @Joey-Xue and @hitarth64