There is an issue with the routine zheevd when compiled with Intel fortran using the optimization -O2 or -O3.
which evaluates to zero because of the compiler not respecting the parenthesis. This results in a division-by-zero later on. Including -assume protect_parens fixes the problem.
program test
implicit none
integer, parameter :: n=27
integer i,j
integer liwork,lrwork,lwork,info
integer, allocatable :: iwork(:)
real(8), allocatable :: w(:),rwork(:)
complex(8), allocatable :: a(:,:),work(:)
liwork=5*n+3
lrwork=2*n**2+5*n+1
lwork=n**2+2*n
allocate(w(n),a(n,n))
allocate(iwork(liwork),rwork(lrwork),work(lwork))
a(:,:)=0.d0
do i=1,n
a(i,i)=1.d0
do j=i+1,n
a(i,j)=cos(dble(i))
end do
end do
call zheevd('V','U',n,a,n,w,work,lwork,rwork,lrwork,iwork,liwork,info)
print *,'info',info
end program
I'm not sure whether this is a compiler, LAPACK or user issue. I've added -assume protect_parens to our code (elk.sourceforge.net) and made zheev as the default eigenvalue solver for the moment.
There is an issue with the routine zheevd when compiled with Intel fortran using the optimization
-O2or-O3.The problem occurs at line 285 of dlaed4:
DELTA( J ) = ( D( J )-D( I ) ) - TAUwhich evaluates to zero because of the compiler not respecting the parenthesis. This results in a division-by-zero later on. Including
-assume protect_parensfixes the problem.Here is a simple program which produces the error:
I'm not sure whether this is a compiler, LAPACK or user issue. I've added
-assume protect_parensto our code (elk.sourceforge.net) and made zheev as the default eigenvalue solver for the moment.