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Tryingtousethiscode:
fromase.buildimportfcc100, add_adsorbate, moleculefromase.optimizeimportLBFGSfromfairchem.coreimportOCPCalculator# Set up your system as an ASE atoms objectslab=fcc100("Cu", (3, 3, 3), vacuum=8)
adsorbate=molecule("CO")
add_adsorbate(slab, adsorbate, 2.0, "bridge")
calc=OCPCalculator(
model_name="EquiformerV2-31M-S2EF-OC20-All+MD",
local_cache="pretrained_models",
trainer="forces",
cpu=False,
)
slab.calc=calc# Set up LBFGS dynamics objectdyn=LBFGS(slab)
dyn.run(0.05, 100)
Current behavior
It's returning this error:
RuntimeError: Failed to find the model 'equiformer_v2'. You may either use a model from the registry (one of 'hydra' or 'schnet') or provide the full import path to the model (e.g., 'fairchem.core.models.schnet.SchNetWrap').
Expected Behavior
The model working corretly, calculating the slab
Relevant files to reproduce this bug
No response
The text was updated successfully, but these errors were encountered:
Python version
Python 3.12.9
fairchem-core version
1.8.1
pytorch version
2.4.1
cuda version
False None
Operating system version
CentOS Linux 7.6 x86_64
Minimal example
Current behavior
It's returning this error:
RuntimeError: Failed to find the model 'equiformer_v2'. You may either use a model from the registry (one of 'hydra' or 'schnet') or provide the full import path to the model (e.g., 'fairchem.core.models.schnet.SchNetWrap').
Expected Behavior
The model working corretly, calculating the slab
Relevant files to reproduce this bug
No response
The text was updated successfully, but these errors were encountered: