1! { dg-do compile } 2! { dg-options "-floop-nest-optimize -O2 -ffast-math" } 3! PR67518 : isl: position out of bounds 4MODULE ao_util 5 INTEGER, PARAMETER :: dp=8 6CONTAINS 7 FUNCTION exp_radius(l,alpha,threshold,prefactor,epsin) RESULT(radius) 8 REAL(KIND=dp), INTENT(IN) :: alpha, threshold, prefactor 9 REAL(KIND=dp), INTENT(IN), OPTIONAL :: epsin 10 DO 11 IF (iter.gt.maxiter) THEN 12 CALL stop_program(routineN,moduleN,1,"exceeded") 13 ENDIF 14 ENDDO 15 CALL stop_program(routineN,moduleN,1,"exceeded") 16 END FUNCTION exp_radius 17 FUNCTION exp_radius_very_extended(la_min,la_max,lb_min,lb_max,pab,o1,o2,ra,rb,rp,& 18 zetp,eps,prefactor,cutoff,epsin) RESULT(radius) 19 REAL(KIND=dp), DIMENSION(:, :), & 20 OPTIONAL, POINTER :: pab 21 REAL(KIND=dp), INTENT(IN) :: ra(3), rb(3), rp(3), zetp, & 22 eps, prefactor, cutoff 23 REAL(KIND=dp) :: bini, binj, coef(0:20), & 24 epsin_local, polycoef(0:60), & 25 rad_b, s1, s2 26 IF (PRESENT(pab)) THEN 27 ENDIF 28 DO lxa=0,la_max 29 DO lxb=0,lb_max 30 coef(0:la_max+lb_max)=0.0_dp 31 DO i=0,lxa 32 DO j=0,lxb 33 coef(lxa+lxb-i-j)=coef(lxa+lxb-i-j) + bini*binj*s1*s2 34 ENDDO 35 ENDDO 36 DO i=0,lxa+lxb 37 polycoef(i)=MAX(polycoef(i),coef(i)) 38 ENDDO 39 ENDDO 40 ENDDO 41 DO i=0,la_max+lb_max 42 radius=MAX(radius,exp_radius(i,zetp,eps,polycoef(i),epsin_local) ) 43 ENDDO 44 END FUNCTION exp_radius_very_extended 45END MODULE ao_util 46