Update comp.py

Author: njzjz

dpdata/deepmd/comp.py

@@ -103,6 +103,10 @@ def dump(folder,
             np.save(os.path.join(set_folder, 'virial'), virials[set_stt:set_end])
         if 'atom_pref' in data:
             np.save(os.path.join(set_folder, "atom_pref"), atom_pref[set_stt:set_end])
+    try:
+        os.remove(os.path.join(folder, "nopbc"))
+    except:
+        pass
     if data.get("nopbc", False):
         os.mknod(os.path.join(folder, "nopbc"))