diff --git a/dpdata/deepmd/comp.py b/dpdata/deepmd/comp.py index 449da62e6..f8a367f8e 100644 --- a/dpdata/deepmd/comp.py +++ b/dpdata/deepmd/comp.py @@ -110,5 +110,6 @@ def dump(folder, except OSError: pass if data.get("nopbc", False): - os.mknod(os.path.join(folder, "nopbc")) + with open(os.path.join(folder, "nopbc"), "w") as fw_nopbc: + pass diff --git a/dpdata/deepmd/raw.py b/dpdata/deepmd/raw.py index 039b3b787..c897f377c 100644 --- a/dpdata/deepmd/raw.py +++ b/dpdata/deepmd/raw.py @@ -74,5 +74,6 @@ def dump (folder, data) : except OSError: pass if data.get("nopbc", False): - os.mknod(os.path.join(folder, "nopbc")) + with open(os.path.join(folder, "nopbc"), "w") as fw_nopbc: + pass