[Pw_forum] problem with neb calculation

[Paolo Giannozzi]

Lucas Fernandez Seivane wrote:

> compiling espresso 4.0 on a ppc64 linux cluster, and I have a well
> known problem about ZHPEV. 

the problem is well known, so is the solution: if you use IBM
ESSL (-D__ESSL) you need to load essl before lapack, as explained
in file make.sys. If you use a version of ESSL that has standard
calls for DSPEV and ZHPEV (as in some weird machines), use
-D__LINUX_ESSL instead.

> I am able to generate a nice pw.x, that works fine for many things 
> but not for the example25 [..]
>  ** On entry to ZHPEV  parameter number  1 had an illegal value

this sounds unlikely. Please find which call causes the problem.

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy