blob: 1acbd72616ccd3f709e586ed0d33f1ac48d5755b [file] [log] [blame]
! { dg-do compile }
! { dg-options "-Ofast" }
! { dg-additional-options "-mavx2" { target { x86_64-*-* i?86-*-* } } }
SUBROUTINE FOO(EF3,CA,ZA,NATA,IC4,NFRGPT)
IMPLICIT DOUBLE PRECISION (A-H,O-Z)
PARAMETER (MXATM=500)
COMMON DE(3,MXATM)
DIMENSION CA(3,NATA)
DIMENSION ZA(NATA)
DIMENSION EF3(3,NFRGPT)
DO II = 1,NATA
XII = XJ - CA(1,II)
YII = YJ - CA(2,II)
ZII = ZJ - CA(3,II)
RJII = SQRT(XII*XII + YII*YII + ZII*ZII)
R3 = RJII*RJII*RJII
IF (IC4.EQ.0) THEN
DE(1,II) = DE(1,II) - S2*ZA(II)*XII/R3
DE(2,II) = DE(2,II) - S2*ZA(II)*YII/R3
DE(3,II) = DE(3,II) - S2*ZA(II)*ZII/R3
ELSE
EF3(1,IC4+II) = EF3(1,IC4+II) - S2*ZA(II)*XII/R3
EF3(2,IC4+II) = EF3(2,IC4+II) - S2*ZA(II)*YII/R3
EF3(3,IC4+II) = EF3(3,IC4+II) - S2*ZA(II)*ZII/R3
END IF
END DO
RETURN
END