! { dg-do compile } ! { dg-options "-floop-nest-optimize -O2 -ffast-math" } ! PR67518 : isl: position out of bounds MODULE ao_util INTEGER, PARAMETER :: dp=8 CONTAINS FUNCTION exp_radius(l,alpha,threshold,prefactor,epsin) RESULT(radius) REAL(KIND=dp), INTENT(IN) :: alpha, threshold, prefactor REAL(KIND=dp), INTENT(IN), OPTIONAL :: epsin DO IF (iter.gt.maxiter) THEN CALL stop_program(routineN,moduleN,1,"exceeded") ENDIF ENDDO CALL stop_program(routineN,moduleN,1,"exceeded") END FUNCTION exp_radius FUNCTION exp_radius_very_extended(la_min,la_max,lb_min,lb_max,pab,o1,o2,ra,rb,rp,& zetp,eps,prefactor,cutoff,epsin) RESULT(radius) REAL(KIND=dp), DIMENSION(:, :), & OPTIONAL, POINTER :: pab REAL(KIND=dp), INTENT(IN) :: ra(3), rb(3), rp(3), zetp, & eps, prefactor, cutoff REAL(KIND=dp) :: bini, binj, coef(0:20), & epsin_local, polycoef(0:60), & rad_b, s1, s2 IF (PRESENT(pab)) THEN ENDIF DO lxa=0,la_max DO lxb=0,lb_max coef(0:la_max+lb_max)=0.0_dp DO i=0,lxa DO j=0,lxb coef(lxa+lxb-i-j)=coef(lxa+lxb-i-j) + bini*binj*s1*s2 ENDDO ENDDO DO i=0,lxa+lxb polycoef(i)=MAX(polycoef(i),coef(i)) ENDDO ENDDO ENDDO DO i=0,la_max+lb_max radius=MAX(radius,exp_radius(i,zetp,eps,polycoef(i),epsin_local) ) ENDDO END FUNCTION exp_radius_very_extended END MODULE ao_util