I am having trouble importing a calculator (OCPCalculator). I uninstalled existing torch version and installed a version that supports the task. but it’s still giving me an OS error.
Code:
from fairchem.core.common.relaxation.ase_utils import OCPCalculator
import ase.io
from ase.optimize import BFGS
Error:
OSError Traceback (most recent call last)/var/folders/n7/96_5cstj2sn6g5ll0b979w380000gn/T/ipykernel_49125/1241704498.py in <module>
----> 1 from fairchem.core.common.relaxation.ase_utils import OCPCalculator
2 import ase.io
3 from ase.optimize import BFGS
~/opt/anaconda3/lib/python3.9/site-packages/fairchem/core/common/relaxation/ase_utils.py in <module>
24
25 from fairchem.core.common.registry import registry
---> 26 from fairchem.core.common.utils import (
27 load_config,
28 setup_imports,
~/opt/anaconda3/lib/python3.9/site-packages/fairchem/core/common/utils.py in <module>
30 import torch
31 import torch.nn as nn
---> 32 import torch_geometric
~/opt/anaconda3/lib/python3.9/sitepackages/torch_geometric/__init__.py in <module>
11 import torch_geometric.loader
12 import torch_geometric.transforms
---> 13 import torch_geometric.datasets
...
384 self._handle = handle
OSError:
dlopen(/Users/roshnidantuluri/opt/anaconda3/lib/python3.9/sitepackages/torch_cluster/_version_cpu.so, 0x0006):
Symbol not found: __ZN3c1017RegisterOperatorsD1Ev
Referenced from: <6A95460A-9602-33F2-92B2-6A9C90B59457>/Users/roshnidantuluri/opt/anaconda3/lib/python3.9/site-packages/torch_cluster/_version_cpu.so
Expected in: <709C1DF5-D253-3C66-87E2-C99FD3A259DF>/Users/roshnidantuluri/opt/anaconda3/lib/python3.9/site-packages/torch/lib/libtorch_cpu.dylib
You would also need to install torch_geometric and torch_scatter
packages to use modules from fairchem.core. Create a venv or anaconda environment with Python 3.10 or newer (I used Python 3.10.14) and follow these installation steps:
pip install fairchem-core
pip install torch_geometric torch-scatter
Then run the following as per their documentation:
from fairchem.core import OCPCalculator