C PR rtl-optimization/44691 C { dg-do compile { target powerpc*-*-* ia64-*-* x86_64-*-* } } C { dg-options "-O2 -fselective-scheduling2" } SUBROUTINE ORIEN(IW,NATOT,NTOTORB,NATORB,P,T) IMPLICIT DOUBLE PRECISION(A-H,O-Z) DIMENSION NATORB(NATOT),P(NTOTORB*(NTOTORB+1)/2) DIMENSION T(NTOTORB,NTOTORB) DO 9000 IATOM=1,NATOT ILAST = NTOTORB IF (IATOM.NE.NATOT) ILAST=NATORB(IATOM+1)-1 DO 8000 IAOI=NATORB(IATOM),ILAST DO 7000 IAOJ = IAOI+1,ILAST R2 = 0.0D+00 R3 = 0.0D+00 DO 6000 INOTA=1,NATOT DO 5000 IK=NATORB(INOTA),NTOTORB IMAI=MAX(IK,IAOI) IMII=MIN(IK,IAOI) IMAJ=MAX(IK,IAOJ) IMIJ=MIN(IK,IAOJ) IKI=(IMAI*(IMAI-1))/2 + IMII IKJ=(IMAJ*(IMAJ-1))/2 + IMIJ PIKI=P(IKI) PIKJ=P(IKJ) R2 = R2 + (PIKI**4)-6*(PIKI*PIKI*PIKJ*PIKJ)+(PIKJ) 5000 CONTINUE 6000 CONTINUE R2 = (R2/4.0D+00) Q = SQRT(R2*R2 + R3*R3) IF (Q.LT.1.0D-08) GO TO 7000 A = COS(THETA) B = -SIN(THETA) CALL ROT1INT(NTOTORB,IAOI,IAOJ,A,B,P) 7000 CONTINUE 8000 CONTINUE 9000 CONTINUE RETURN END