[Pw_forum] installation problems with pwscf version >= 2.0 !

[Gerardo Ballabio]

On Thu, 2004-04-22 at 01:38, Taner Yildirim wrote:
> Question 1)
>  
> I was just wondering if there is anyone out there who successfully
> compiled pwscf (version 2.0 or above) using pgi 5.1 and mpich
> for linux (RedHat 8.0, xeon processors)????
>  
> We managed to compile it and get an executable. However
> it does not work for most of the systems. For example, It fails
>  in example 2 (when computing electric fields for Gamma phonons).! 

I installed pwscf 2.0 on a very similar machine (Xeon, Suse 9, pgi 5.1,
mpich/gm) and got the same results as you, namely, example 2 and a few
others failed. I started working to locate and fix the bug, but then
I've been absorbed by other things I had to do. I'll resume working on
that as soon as I can.

Be aware that the pwscf package contains several executables. The
failing examples are those running ph.x, while pw.x seems to work fine.
Depending on what you have to do, that may be enough for you.

> Question 2)
> I also tried to install pwscf 2.02 (or 2.0 , same problem) in our
> SGI origin 2000 (96 processors R14000). It has  the compiler
> version 7.41 (f14). It gives the error that I included below. 
>  
> I tried to compile it in an other SGI 2000 system with an older
> compiler (Version 7.3.1.3m). It generated an executable which
> works for almost all the examples except  the "computing the
> electric field for G phonons as in example 2". 

I've installed pwscf on an origin 3000. Compilation was successful, but
right now I don't remember for sure whether all examples worked. Most of
them did, at least.

Gerardo Ballabio