Removed LOOP_COUNT directives

src/electrons.irp.f

@@ -171,19 +171,15 @@ END_PROVIDER
   
   do ie2 = 1,elec_num
     real                           :: x, y, z
+    real                           :: x2, y2, z2
     x = elec_coord(ie2,1)
     y = elec_coord(ie2,2)
     z = elec_coord(ie2,3)
     !DIR$ VECTOR ALIGNED
-    !DIR$ LOOP COUNT (200)
     do ie1 = 1,elec_num
       elec_dist_vec_x(ie1,ie2) = elec_coord(ie1,1) - x
       elec_dist_vec_y(ie1,ie2) = elec_coord(ie1,2) - y
       elec_dist_vec_z(ie1,ie2) = elec_coord(ie1,3) - z
-    enddo
-    !DIR$ VECTOR ALIGNED
-    !DIR$ LOOP COUNT (200)
-    do ie1 = 1,elec_num
       elec_dist(ie1,ie2) = sqrt(                                     &
           elec_dist_vec_x(ie1,ie2)*elec_dist_vec_x(ie1,ie2) +        &
           elec_dist_vec_y(ie1,ie2)*elec_dist_vec_y(ie1,ie2) +        &

src/mo.irp.f

@@ -682,8 +682,6 @@ subroutine sparse_full_mv(A,LDA,                                     &
   ! LDC and LDA have to be factors of simd_sp
   
   !DIR$ VECTOR ALIGNED
-  !DIR$ LOOP COUNT (256)
-  !$OMP SIMD
   do j=1,LDC
     C1(j) = 0.
     C2(j) = 0.
@@ -691,11 +689,11 @@ subroutine sparse_full_mv(A,LDA,                                     &
     C4(j) = 0.
     C5(j) = 0.
   enddo
-  !$OMP END SIMD
+
   kmax2 = ishft(indices(0),-2)
   kmax2 = ishft(kmax2,2)
   kmax3 = indices(0)
-  !DIR$ LOOP COUNT (200)
+
   do kao=1,kmax2,4
     k_vec(1) = indices(kao  )
     k_vec(2) = indices(kao+1)
@@ -712,17 +710,14 @@ subroutine sparse_full_mv(A,LDA,                                     &
     d32 = B2(kao+2)
     d42 = B2(kao+3)
     
-    !DIR$ LOOP COUNT (256)
     do k=0,LDA-1,$IRP_ALIGN/4
       !DIR$ VECTOR ALIGNED
-      !$OMP SIMD
       do j=1,$IRP_ALIGN/4
         C1(j+k) = C1(j+k) + A(j+k,k_vec(1))*d11 + A(j+k,k_vec(2))*d21&
             +   A(j+k,k_vec(3))*d31 + A(j+k,k_vec(4))*d41
         C2(j+k) = C2(j+k) + A(j+k,k_vec(1))*d12 + A(j+k,k_vec(2))*d22&
             +   A(j+k,k_vec(3))*d32 + A(j+k,k_vec(4))*d42
       enddo
-      !$OMP END SIMD
     enddo
     
     d13 = B3(kao  )
@@ -735,17 +730,14 @@ subroutine sparse_full_mv(A,LDA,                                     &
     d34 = B4(kao+2)
     d44 = B4(kao+3)
     
-    !DIR$ LOOP COUNT (256)
     do k=0,LDA-1,$IRP_ALIGN/4
       !DIR$ VECTOR ALIGNED
-      !$OMP SIMD
       do j=1,$IRP_ALIGN/4
         C3(j+k) = C3(j+k) + A(j+k,k_vec(1))*d13 + A(j+k,k_vec(2))*d23&
             +   A(j+k,k_vec(3))*d33 + A(j+k,k_vec(4))*d43
         C4(j+k) = C4(j+k) + A(j+k,k_vec(1))*d14 + A(j+k,k_vec(2))*d24&
             +   A(j+k,k_vec(3))*d34 + A(j+k,k_vec(4))*d44
       enddo
-      !$OMP END SIMD
     enddo
     
     d15 = B5(kao  )
@@ -753,20 +745,16 @@ subroutine sparse_full_mv(A,LDA,                                     &
     d35 = B5(kao+2)
     d45 = B5(kao+3)
     
-    !DIR$ LOOP COUNT (256)
     do k=0,LDA-1,$IRP_ALIGN/4
       !DIR$ VECTOR ALIGNED
-      !$OMP SIMD
       do j=1,$IRP_ALIGN/4
         C5(j+k) = C5(j+k) + A(j+k,k_vec(1))*d15 + A(j+k,k_vec(2))*d25&
             +   A(j+k,k_vec(3))*d35 + A(j+k,k_vec(4))*d45
       enddo
-      !$OMP END SIMD
     enddo
     
   enddo
   
-  !DIR$ LOOP COUNT (200)
   do kao = kmax2+1, kmax3
     k_vec(1) = indices(kao)
     d11 = B1(kao)
@@ -775,10 +763,8 @@ subroutine sparse_full_mv(A,LDA,                                     &
     d14 = B4(kao)
     d15 = B5(kao)
     !DIR$ VECTOR ALIGNED
-    !DIR$ LOOP COUNT (256)
     do k=0,LDA-1,simd_sp
       !DIR$ VECTOR ALIGNED
-      !$OMP SIMD
       do j=1,$IRP_ALIGN/4
         C1(j+k) = C1(j+k) + A(j+k,k_vec(1))*d11
         C2(j+k) = C2(j+k) + A(j+k,k_vec(1))*d12
@@ -786,7 +772,6 @@ subroutine sparse_full_mv(A,LDA,                                     &
         C4(j+k) = C4(j+k) + A(j+k,k_vec(1))*d14
         C5(j+k) = C5(j+k) + A(j+k,k_vec(1))*d15
       enddo
-      !$OMP END SIMD
     enddo
   enddo