[Wien] IFORT 11.1 and symmetry (2x missing)

[Gerhard Fecher]

IFORT 11.1 (.072) may lead to an overoptimization if using -O3 when compiling symmetry.

For spacegroup 119
I received a "2x missing" warning and the output shows that something goes wrong with the symmetry
(and it produces an empty structure file) 
It appears in Wien2k versions 9.2 and 10.1 (I did not check for others or different small numers of ifort))

This does not appear for several cubic structures (with or without center of inversion),
therfore I wonder if there is something specific for the lower symmetries that might be the cause.

The error does not appear for IFORT 11.0(.083) with -O3 (or older Versions)

All other parts of Wien run smooth without problems if using -O3
Note, usually the -mp1 -w -prec_div -pc80 -pad options usually prevent numerical nonsense if using -O3

Has someone an idea whether there are some other new switches (combination of switches) that prevent
other overoptimizations in the numerical parts ? 


Ciao
Gerhard

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Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
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