[Pw_forum] projwfc / ZHEEV parameter

[Paolo Giannozzi]

On Sun, 2014-06-01 at 08:23 -0300, Osmair Vital Osmair wrote:

> However I run some example from the QE and there is not error.
> When I change these examples for my system. I observed this error. 
> For instance, my machine is not IBM.

unless you provide enough information to reproduce the error 
(provided it is reproducible), there is nothing that anybody 
can do. Otherwise, print the arguments of zhhev when it is 
called (projwfc.f90 => call cdiagh => call zheev), figure out
what is wrong

P.
> 
> 2014-05-28 3:14 GMT-03:00 Paolo Giannozzi <paolo.giannozzi at uniud.it>:
>         On Tue, 2014-05-27 at 17:16 -0300, Osmair Vital Osmair wrote:
>         
>         >  ** On entry to ZHEEV parameter number  5 had an illegal
>         value
>         
>         
>         from the user guide:
>         
>         On IBM machines with ESSL libraries installed, there is a
>         potential
>         conflict between a few LAPACK routines that are also part of
>         ESSL, but
>         with a different calling sequence. The appearance of run-time
>         errors
>         like ON ENTRY TO ZHPEV PARAMETER NUMBER 1 HAD AN ILLEGAL VALUE
>         is a
>         signal that you are calling the bad routine. If you have
>         defined
>         -D__ESSL you should load ESSL before LAPACK: see variable
>         LAPACK_LIBS in
>         make.sys.
>         
>         P.
>         --
>         Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
>         Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>         Phone +39-0432-558216, fax +39-0432-558222
>         
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