[Pw_forum] problem with neb calculation

[Vivek Ranjan]

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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