[Pw_forum] Error in example 22

[Lucas Fernandez Seivane]

I tested it in another computer, where I have mkl 7.2, and pwscf
worked fine! It was, as you suggested, some problem with an old
version of mkl.

On Wed,  9 Mar 2005 17:56:17 +0100 (MET), Gerardo Ballabio
<g.ballabio at cineca.it> wrote:
> 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
> 
> 
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