Set correct exit code on SCF failure

Set Schrodinger version
QEF · Oct 17, 2022 · 67d80ff · 67d80ff
1 parent 47b93e3
commit 67d80ff
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Showing 2 changed files with 8 additions and 5 deletions.
diff --git a/PW/src/run_pwscf.f90 b/PW/src/run_pwscf.f90
@@ -167,11 +167,14 @@ SUBROUTINE run_pwscf( exit_status )
      ! ... code stopped by user or not converged
      !
      IF ( check_stop_now() .OR. .NOT. conv_elec ) THEN
-        IF ( check_stop_now() ) exit_status = 255
-        IF ( .NOT. conv_elec) THEN
-            IF (dmft) exit_status =  131
+        IF ( check_stop_now() ) THEN
+           exit_status = 255
         ELSE
-            exit_status = 2
+           IF (dmft) THEN
+              exit_status =  131
+           ELSE
+              exit_status = 2
+           ENDIF
         ENDIF
         CALL qexsd_set_status(exit_status)
         CALL punch( 'config' )

diff --git a/include/qe_version.h b/include/qe_version.h
@@ -7,4 +7,4 @@
 !
 ! global version number
 !
-CHARACTER (LEN=6) :: version_number = '7.1'
+CHARACTER (LEN=12) :: version_number = '7.1_2022-4'