[Wien] use -O2 with IFORT 11.1

[Gerhard Fecher]

The recommendation of Intel is to use -O2 until they find out what it is.

They are investigating the case, its not related to a similar bug that was reported earlier.

Ciao
Gerhard

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: laurence.marks at gmail.com [laurence.marks at gmail.com]" im Auftrag von "Laurence Marks [L-marks at northwestern.edu]
Gesendet: Montag, 14. Juni 2010 17:58
An: Gerhard Fecher
Cc: pblaha at theochem.tuwien.ac.at
Betreff: Re: [Wien] IFORT 11.1 and symmetry (2x missing)

Thanks for the analysis. I will be interested to find out what Intel
says; I have seen some strange losses of accuracy with 11.1 using -O3
and this might be a contributor.

On Mon, Jun 14, 2010 at 10:47 AM, Gerhard Fecher <fecher at uni-mainz.de> wrote:
> Its even worth,
> as it depends where you set aext(1:5,1:5)=0.d0
> see the attached version that is just calling inva,
> if the aext(1:5,1:5)=0.d0 is not directly in front of the loops,
> then it crashes, at least in the Windows Version of IFORT 11.1
>
> I guess using -O3 is presently rather unsafe to be used in 11.1.
>
> I will go to report it to Intel.
>
>
> Ciao
> Gerhard
>
> ====================================
> Dr. Gerhard H. Fecher
> Institut of Inorganic and Analytical Chemistry
> Johannes Gutenberg - University
> 55099 Mainz