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Removed LOOP_COUNT directives
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@ -171,19 +171,15 @@ END_PROVIDER
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do ie2 = 1,elec_num
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real :: x, y, z
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real :: x2, y2, z2
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x = elec_coord(ie2,1)
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y = elec_coord(ie2,2)
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z = elec_coord(ie2,3)
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!DIR$ VECTOR ALIGNED
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!DIR$ LOOP COUNT (200)
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do ie1 = 1,elec_num
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elec_dist_vec_x(ie1,ie2) = elec_coord(ie1,1) - x
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elec_dist_vec_y(ie1,ie2) = elec_coord(ie1,2) - y
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elec_dist_vec_z(ie1,ie2) = elec_coord(ie1,3) - z
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enddo
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!DIR$ VECTOR ALIGNED
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!DIR$ LOOP COUNT (200)
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do ie1 = 1,elec_num
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elec_dist(ie1,ie2) = sqrt( &
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elec_dist_vec_x(ie1,ie2)*elec_dist_vec_x(ie1,ie2) + &
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elec_dist_vec_y(ie1,ie2)*elec_dist_vec_y(ie1,ie2) + &
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19
src/mo.irp.f
19
src/mo.irp.f
@ -682,8 +682,6 @@ subroutine sparse_full_mv(A,LDA, &
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! LDC and LDA have to be factors of simd_sp
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!DIR$ VECTOR ALIGNED
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!DIR$ LOOP COUNT (256)
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!$OMP SIMD
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do j=1,LDC
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C1(j) = 0.
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C2(j) = 0.
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@ -691,11 +689,11 @@ subroutine sparse_full_mv(A,LDA, &
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C4(j) = 0.
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C5(j) = 0.
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enddo
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!$OMP END SIMD
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kmax2 = ishft(indices(0),-2)
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kmax2 = ishft(kmax2,2)
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kmax3 = indices(0)
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!DIR$ LOOP COUNT (200)
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do kao=1,kmax2,4
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k_vec(1) = indices(kao )
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k_vec(2) = indices(kao+1)
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@ -712,17 +710,14 @@ subroutine sparse_full_mv(A,LDA, &
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d32 = B2(kao+2)
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d42 = B2(kao+3)
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!DIR$ LOOP COUNT (256)
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do k=0,LDA-1,$IRP_ALIGN/4
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!DIR$ VECTOR ALIGNED
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!$OMP SIMD
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do j=1,$IRP_ALIGN/4
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C1(j+k) = C1(j+k) + A(j+k,k_vec(1))*d11 + A(j+k,k_vec(2))*d21&
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+ A(j+k,k_vec(3))*d31 + A(j+k,k_vec(4))*d41
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C2(j+k) = C2(j+k) + A(j+k,k_vec(1))*d12 + A(j+k,k_vec(2))*d22&
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+ A(j+k,k_vec(3))*d32 + A(j+k,k_vec(4))*d42
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enddo
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!$OMP END SIMD
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enddo
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d13 = B3(kao )
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@ -735,17 +730,14 @@ subroutine sparse_full_mv(A,LDA, &
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d34 = B4(kao+2)
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d44 = B4(kao+3)
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!DIR$ LOOP COUNT (256)
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do k=0,LDA-1,$IRP_ALIGN/4
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!DIR$ VECTOR ALIGNED
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!$OMP SIMD
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do j=1,$IRP_ALIGN/4
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C3(j+k) = C3(j+k) + A(j+k,k_vec(1))*d13 + A(j+k,k_vec(2))*d23&
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+ A(j+k,k_vec(3))*d33 + A(j+k,k_vec(4))*d43
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C4(j+k) = C4(j+k) + A(j+k,k_vec(1))*d14 + A(j+k,k_vec(2))*d24&
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+ A(j+k,k_vec(3))*d34 + A(j+k,k_vec(4))*d44
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enddo
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!$OMP END SIMD
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enddo
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d15 = B5(kao )
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@ -753,20 +745,16 @@ subroutine sparse_full_mv(A,LDA, &
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d35 = B5(kao+2)
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d45 = B5(kao+3)
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!DIR$ LOOP COUNT (256)
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do k=0,LDA-1,$IRP_ALIGN/4
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!DIR$ VECTOR ALIGNED
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!$OMP SIMD
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do j=1,$IRP_ALIGN/4
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C5(j+k) = C5(j+k) + A(j+k,k_vec(1))*d15 + A(j+k,k_vec(2))*d25&
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+ A(j+k,k_vec(3))*d35 + A(j+k,k_vec(4))*d45
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enddo
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!$OMP END SIMD
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enddo
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enddo
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!DIR$ LOOP COUNT (200)
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do kao = kmax2+1, kmax3
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k_vec(1) = indices(kao)
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d11 = B1(kao)
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@ -775,10 +763,8 @@ subroutine sparse_full_mv(A,LDA, &
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d14 = B4(kao)
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d15 = B5(kao)
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!DIR$ VECTOR ALIGNED
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!DIR$ LOOP COUNT (256)
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do k=0,LDA-1,simd_sp
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!DIR$ VECTOR ALIGNED
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!$OMP SIMD
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do j=1,$IRP_ALIGN/4
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C1(j+k) = C1(j+k) + A(j+k,k_vec(1))*d11
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C2(j+k) = C2(j+k) + A(j+k,k_vec(1))*d12
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@ -786,7 +772,6 @@ subroutine sparse_full_mv(A,LDA, &
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C4(j+k) = C4(j+k) + A(j+k,k_vec(1))*d14
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C5(j+k) = C5(j+k) + A(j+k,k_vec(1))*d15
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enddo
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!$OMP END SIMD
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enddo
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enddo
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