Update search string for SCF convergence failure message

mkrack · Dec 17, 2023 · fa58751 · fa58751
1 parent 8e67efe
commit fa58751
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/aiida_cp2k/utils/parser.py b/aiida_cp2k/utils/parser.py
@@ -103,7 +103,7 @@ def parse_cp2k_output_advanced(
         # Parse warnings
         if re.search(r"Using a non-square number of", line):
             result_dict["warnings"].append("Using a non-square number of MPI ranks")
-        if re.search(r"SCF run NOT converged", line):
+        if re.search(r"SCF run did NOT converge", line):
             warn = "One or more SCF run did not converge"
             if warn not in result_dict["warnings"]:
                 result_dict["warnings"].append(warn)
@@ -200,7 +200,7 @@ def parse_cp2k_output_advanced(
             if re.search("Total charge density on r-space grids:", line):
                 # Printed at every outer OT, and needed for understanding if something is going wrong (if !=0)
                 edens_rspace = float(line.split()[-1])
-            if re.search(r"SCF run NOT converged", line):
+            if re.search(r"SCF run did NOT converge", line):
                 scf_converged = False
 
             # Parse specific info