remove jr.json to allow rerun in autotest make (#579)

Change-Id: I26e8f7120703f131ffb005e4c0c927c108821ae0 Co-authored-by: Zhengju Sha <jenny@bytedance.com>
deepmodeling · Oct 26, 2021 · 2fd6c7e · 2fd6c7e
1 parent 90ea59e
commit 2fd6c7e
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/dpgen/auto_test/common_equi.py b/dpgen/auto_test/common_equi.py
@@ -79,6 +79,9 @@ def make_equi(confs,
         poscar = os.path.abspath(os.path.join(ii, 'POSCAR'))
         if not os.path.exists(poscar):
             raise FileNotFoundError('no configuration for autotest')
+        if os.path.exists(os.path.join(ii, 'relaxation', 'jr.json')):
+            os.remove(os.path.join(ii, 'relaxation', 'jr.json'))
+
         relax_dirs = os.path.abspath(os.path.join(ii, 'relaxation', 'relax_task'))    # to be consistent with property in make dispatcher
         create_path(relax_dirs)
         task_dirs.append(relax_dirs)