[Pw_forum] problem with neb calculation

[Eyvaz Isaev]

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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