Ensuring matrices are on same devices

globus-labs · Dec 25, 2023 · 725db57 · 725db57
1 parent a01614c
commit 725db57
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/jitterbug/model/dscribe/local.py b/jitterbug/model/dscribe/local.py
@@ -58,7 +58,7 @@ def __init__(self, models: dict[int, torch.nn.Module]):
         )
 
     def forward(self, element: torch.IntTensor, desc: torch.Tensor) -> torch.Tensor:
-        output = torch.empty((desc.shape[0],), dtype=desc.dtype)
+        output = torch.empty_like(desc[:, 0])
         for elem, model in self.models.items():
             elem_id = int(elem)
             mask = element == elem_id
@@ -136,7 +136,7 @@ def train_model(model: torch.nn.Module,
     n_conf, n_atoms = train_x.shape[:2]
     train_x = torch.from_numpy(train_x)
     train_y = torch.from_numpy(train_y)
-    train_e = torch.from_numpy(train_e)
+    train_e = torch.from_numpy(train_e).to(device)
 
     # Duplicate the elements per batch size
     train_e = train_e.repeat(batch_size)