From cfa42beb672b3ba015cb73481f7af8b8a106f161 Mon Sep 17 00:00:00 2001 From: Han Wang Date: Sun, 20 Oct 2024 13:00:23 +0800 Subject: [PATCH] fix deprecating torch.norm --- deepmd/pt/utils/nlist.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/deepmd/pt/utils/nlist.py b/deepmd/pt/utils/nlist.py index a4f81a23a5..1060b40ce1 100644 --- a/deepmd/pt/utils/nlist.py +++ b/deepmd/pt/utils/nlist.py @@ -457,7 +457,7 @@ def extend_coord_with_ghosts( xyz = xyz.view(-1, 3) xyz = xyz.to(device=device, non_blocking=True) # ns x 3 - shift_idx = xyz[torch.argsort(torch.norm(xyz, dim=1))] + shift_idx = xyz[torch.argsort(torch.linalg.norm(xyz, dim=-1))] ns, _ = shift_idx.shape nall = ns * nloc # nf x ns x 3