fix no omp build (grimme-lab#984)

Signed-off-by: albert <[email protected]> Signed-off-by: Johannes Gorges <[email protected]>
gorges97 · Mar 27, 2024 · dd95346 · dd95346
1 parent 6f5ce46
commit dd95346
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/src/extern/orca.f90 b/src/extern/orca.f90
@@ -278,10 +278,12 @@ subroutine writeOrcaInp(env,io,mol,input,mode)
    write(io,'("#",1x,a)') &
       "ORCA input is generated automatically. Not correct way."
 
+   num_threads = 1 ! default
+
    ! number of cores !
    !$omp parallel
    !$omp master
-      num_threads = omp_get_num_threads()
+   !$   num_threads = omp_get_num_threads()
    !$omp end master
    !$omp end parallel