[Pw_forum] Error in example 22

[Gerardo Ballabio]

On 03/09/05 16:17:46, Eyvaz Isaev wrote:
> Did you try it on other Linux-based systems?
> As it is mentioned on Debian homepage, "sarge" is on
> testing stage now.

> --- Lucas Fernandez Seivane <quevedin at gmail.com>
> wrote:
> 
> > In fact it is very bizarre, since at home (win XP
> > +g95) it worked
> > without any nuisance, but at work (sarge + ifort8 +
> > icc (untested) )
> > it failed the same test, so now I am recompling with
> > gcc instead of
> > icc

> > > > when running example 22 I get this cryptic error
> > > > message:
> > > >
> > > >      from cdiaghg : error #        31
> > > >      info =/= 0

I've been running Espresso on Sarge with Intel compilers for more  
than one year and never had problems related to the operating system.

That error means that a Lapack diagonalization routine is failing,  
most likely because it received incorrect input.

You don't mention whether you are using the Intel MKL library (Lapack  
replacement) together with Intel compilers. I'm using ifort and icc  
8.1 and MKL 7.2, and example22 runs fine for me.

MKL is free for non-commercial users. Download and install it, then  
reconfigure and recompile Espresso and it'll autodetect it.

Gerardo