Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Cant figure out how to get TensorMol to work. (GOMP_4.0 not found?) #41

Open
xuwenshuo opened this issue Mar 27, 2019 · 1 comment
Open

Comments

@xuwenshuo
Copy link

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 ~


@dc8291
Copy link

dc8291 commented Nov 5, 2019

Not sure if you are still having this problem, but I think you need to install Tensorflow and then run the setup.py.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants