[Wien] ifort compiler options

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

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 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,

Re: [Wien] ifort compiler options

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