Commit 75ea65a1 by Stefano De Gironcoli

### some more openMP do loop parallelization

parent ce216bf3
 ... ... @@ -79,7 +79,11 @@ SUBROUTINE rdiaghg( n, m, h, s, ldh, e, v ) ! ! ... calculate all eigenvalues ! v(:,:) = h(:,:) !\$omp parallel do do i =1, n v(1:ldh,i) = h(1:ldh,i) end do !\$omp end parallel do ! #if defined (__ESSL) ! ... ... @@ -118,6 +122,7 @@ SUBROUTINE rdiaghg( n, m, h, s, ldh, e, v ) ! ! ... restore input H matrix from saved diagonal and lower triangle ! !\$omp parallel do DO i = 1, n h(i,i) = hdiag(i) DO j = i + 1, n ... ... @@ -127,6 +132,7 @@ SUBROUTINE rdiaghg( n, m, h, s, ldh, e, v ) h(j,i) = 0.0_DP END DO END DO !\$omp end parallel do ! DEALLOCATE( hdiag ) ! ... ... @@ -144,6 +150,7 @@ SUBROUTINE rdiaghg( n, m, h, s, ldh, e, v ) ! ... restore input S matrix from saved diagonal and lower triangle ! !\$omp parallel do DO i = 1, n s(i,i) = sdiag(i) DO j = i + 1, n ... ... @@ -153,6 +160,7 @@ SUBROUTINE rdiaghg( n, m, h, s, ldh, e, v ) s(j,i) = 0.0_DP END DO END DO !\$omp end parallel do ! DEALLOCATE( sdiag ) ! ... ... @@ -214,6 +222,7 @@ SUBROUTINE prdiaghg( n, h, s, ldh, e, v, desc ) #if defined(__SCALAPACK) INTEGER :: desch( 16 ), info #endif INTEGER :: i ! CALL start_clock( 'rdiaghg' ) ! ... ... @@ -227,8 +236,12 @@ SUBROUTINE prdiaghg( n, h, s, ldh, e, v, desc ) ALLOCATE( hh( nx, nx ) ) ALLOCATE( ss( nx, nx ) ) ! hh(1:nx,1:nx) = h(1:nx,1:nx) ss(1:nx,1:nx) = s(1:nx,1:nx) !\$omp parallel do do i=1,nx hh(1:nx,i) = h(1:nx,i) ss(1:nx,i) = s(1:nx,i) end do !\$omp end parallel do ! END IF ! ... ...
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