diff --git a/examples/mliap/mliap_pytorch_Ta06A.py b/examples/mliap/mliap_pytorch_Ta06A.py index c4387e21a3..589c9661b8 100644 --- a/examples/mliap/mliap_pytorch_Ta06A.py +++ b/examples/mliap/mliap_pytorch_Ta06A.py @@ -94,8 +94,12 @@ lmp.commands_string(before_loading) # Define the model however you like. In this example # we load it from disk: +import os import torch -model = torch.load('Ta06A.mliap.pytorch.model.pt') +torch_model = 'Ta06A.mliap.pytorch.model.pt' +if not os.path.exists(torch_model): + raise FileNotFoundError(f"Generate {torch_model} with convert_mliap_Ta06A.py") +model = torch.load(torch_model) # Connect the PyTorch model to the mliap pair style. lammps.mliap.load_model(model) diff --git a/examples/mliap/mliap_pytorch_Ta06A_kokkos.py b/examples/mliap/mliap_pytorch_Ta06A_kokkos.py index da0d3fcaff..f0d2b9bf3e 100644 --- a/examples/mliap/mliap_pytorch_Ta06A_kokkos.py +++ b/examples/mliap/mliap_pytorch_Ta06A_kokkos.py @@ -94,8 +94,12 @@ lmp.commands_string(before_loading) # Define the model however you like. In this example # we load it from disk: +import os import torch -model = torch.load('Ta06A.mliap.pytorch.model.pt') +torch_model = 'Ta06A.mliap.pytorch.model.pt' +if not os.path.exists(torch_model): + raise FileNotFoundError(f"Generate {torch_model} with convert_mliap_Ta06A.py") +model = torch.load(torch_model) # Connect the PyTorch model to the mliap pair style. lammps.mliap.load_model_kokkos(model)