Yes, I can confirm that the missing real*8 in pimach is a bug, even when it
does not show up
in optimized compilations. One should insert
IMPLICIT REAL*8 (A-H,O-Z)
in function pimach (bottom of SRC_lapw0/fftpack_helpers.f file).
As L.Marks already pointed out, the kurki.f problem is not really
Thanks, Prof. Marks. Your explanation is better than mine. Yes, almost
certainly the default -r4 is used for -O2, but by luck it is not
truncating the variable.
By the way, do you think it is also by luck that the ifort compiler
produces an x symmetry executable that does not crash with a
If the first declaration is lm(2,49) then in later ones it does not
matter (in standard fortran) if it is declared lm(2,1), lm(2,*) or
lm(2,48) -- although lm(2,50) could be problematic. The reason is that
the size of the array is 2*49 and so long as this is not exceeded
everything is fine -- the
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