Hi,
Recently, I recompiled WIEN2k_13 with -O3 option. (I used to use the
default option O2). The full compiler option is as follows
-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume
buffered_io -O3
I calculated the band structure of CsTlCl3 in high symmetry structure
(struct
Sadly, no surprise. Intel sometimes designs ifort for speed more than
accuracy, and they have done some things recently that can reduce accuracy.
Put -O3 immediately after -FR, the order matters. It may be better, or not.
On Aug 6, 2014 12:03 PM, James Peter jsqdmgl...@gmail.com wrote:
Hi,
von quot;Laurence
Marks [l-ma...@northwestern.edu]
Gesendet: Mittwoch, 6. August 2014 19:26
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] ifort compiler options
Sadly, no surprise. Intel sometimes designs ifort for speed more than accuracy,
and they have done some things recently that can
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