[Pw_forum] problem with neb calculation

[Eyvaz Isaev]

Hi,

Yes, so strange.  Does it depend on bmaxdata size?

Bests,
Eyvaz.

--- Vivek Ranjan <vranjan at uark.edu> wrote:

> Hi, 
> 
> Just curious. Nothing worked till I included  "
> -bmaxdata:512000000" in LDFLAGS, ie. 
> 
> LDFLAGS=-q64 $(LIBS) $(LIBOBJS) -bmaxdata:512000000
> 
> works.
> 
> Thank you,
> Vivek
> 
> 
> ----- Original Message -----
> From: Eyvaz Isaev <eyvaz_isaev at yahoo.com>
> 
> 
> Date: Friday, September 30, 2005 4:32 pm
> Subject: Re: [Pw_forum] problem with neb calculation
> 
> > Hi, 
> > 
> > It looks like the next message:
> > 
> > ** ON ENTRY TO ZHPEV  PARAMETER NUMBER  1 HAD AN 
> > ILLEGAL VALUE
> > 
> > There is Paolo's comments on this: 
> > >ESSL contains a version of ZHPEV  that is
> > incompatible 
> > > with ZHPEV provided by LAPACK. If __AIX is
> defined,
> > > the former is used.
> > > Load ESSL before LAPACK.
> > 
> > Try to follow this advice, i.e. recompile PWSCF
> with
> > options -lessl -llapack.
> > 
> > Bests,
> > Eyvaz.
> > 
> > --- Vivek Ranjan <vranjan at ncsu.edu> wrote:
> > 
> > > Dear Users,
> > > 
> > > I ran the attached input file on three different
> > > machines with : (i) Xeon
> > > processors, (ii) IBM p690, (iii) another machine
> > > with IBM p690. I could
> > > run the programme successfully on the first two,
> but
> > > the run on the third
> > > machine stopped with the following statement :
> > > 
> > > 
> > >      ------------------------------ iteration  
> 1
> > > ------------------------
> > >      tcpu =      0.1;  self-consistency for
> image  
> > > 1
> > >  ** ON ENTRY TO DSYGV  PARAMETER NUMBER  2 HAD
> AN
> > > ILLEGAL VALUE
> > > 
> > >     
> > >
> >
>
--------------------------------------------------------------------
> > > 
> > > Usually everything is similar on the second and
> the
> > > third machines
> > > mentioned  above. As a result the same makefile
> > > works well on both of
> > > them. I would also like to mention that I have
> > > successfully performed many
> > > calculations using PWSCF on all three machines.
> So,
> > > my PWSCF compilation
> > > seems to be alright.
> > > 
> > > Any hints ?
> > > 
> > > Thank you,
> > > 
> > > Vivek
> > > 
> > >
> >
>
__________________________________________________________________________
> > > web : http://www.geocities.com/vivekranjanweb
> > >
> >
>
__________________________________________________________________________
> > > Vivek Ranjan                             Email :
> > > vranjan at chips.ncsu.edu
> > > Center for High Performance Simulation         :
> > > vranjan at ncsu.edu
> > > Department of Physics
> > > NC State University                      Phone :
> > > +1-919-513-0613 (Office)
> > > Campus Box 7518                          Fax   :
> > > +1-919-513-4804
> > > Raleigh, NC 27695
> > >
> >
>
--------------------------------------------------------------------
> > ------
> > 
> > 
> > 
> >        	
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> > begin:vcard
> n:Ranjan;Vivek
> fn:Vivek Ranjan
> tel;cell:+1-479-236-3673
> tel;fax:+1-479-575-4580
> tel;home:+1-479-571-3159
> tel;work:+1-479-575-5596
> url:www.uark.edu/misc/aaron5/index.html
> org:University of Arkansas;Department of Physics
> adr:;;226, Physics Building, University of
> Arkansas;Fayetteville;AR;72701;USA
> version:2.1
> email;internet:vranjan at uark.edu
> title:Dr.
> end:vcard
> 
> 



		
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