Hi, I was trying to get TensorMol to work but i can't seem to figure out why. I followed the instructions and tried to run the sample script "python3 test_tensormol01.py" but i seem to get the error message below. Might someone here be able to enlighten me.
Searching for Installed Optional Packages...
MolEmb is not installed. Please cd C_API; sudo python setup.py install /home/red/.local/lib/python3.6/site-packages/pyscf/lib/libgomp.so.1: version GOMP_4.0 not found (required by /home/red/Documents/Structural_Biology/Molecular_Dynamics/TensorMol/MolEmb.cpython-36m-x86_64-linux-gnu.so)
Traceback (most recent call last):
File "test_tensormol01.py", line 3, in <module>
from TensorMol import *
File "/home/red/Documents/Structural_Biology/Molecular_Dynamics/TensorMol/TensorMol/__init__.py", line 28, in <module>
from .Containers import *
File "/home/red/Documents/Structural_Biology/Molecular_Dynamics/TensorMol/TensorMol/Containers/__init__.py", line 4, in <module>
from .Mol import *
File "/home/red/Documents/Structural_Biology/Molecular_Dynamics/TensorMol/TensorMol/Containers/Mol.py", line 5, in <module>
import MolEmb
ImportError: /home/red/.local/lib/python3.6/site-packages/pyscf/lib/libgomp.so.1: version GOMP_4.0 not found (required by /home/red/Documents/Structural_Biology/Molecular_Dynamics/TensorMol/MolEmb.cpython-36m-x86_64-linux-gnu.so)
======= Accumulated Time Information =======
Category ||| Time Per Call ||| Total Elapsed
Total Time : 0.00290 s
~ Adios Homeshake ~
Hi, I was trying to get TensorMol to work but i can't seem to figure out why. I followed the instructions and tried to run the sample script "python3 test_tensormol01.py" but i seem to get the error message below. Might someone here be able to enlighten me.