[Pw_forum] UPF PAW with Atompaw

hichem bouderba hicpalm at gmail.com
Thu May 12 20:32:22 CEST 2011


Hi lorenzo,
I tried  QE 4.2.1 with gfortran 4.3.3 and openmpi 1.4.3; atompaw with
gfortran but I still have the same error.
Any suggestion ! where should I look ?
thanks.

On Thu, May 12, 2011 at 3:13 PM, Lorenzo Paulatto <
Lorenzo.Paulatto at impmc.upmc.fr> wrote:

> On Thu, 12 May 2011 13:47:38 +0200, hichem bouderba <hicpalm at gmail.com>
> wrote:
> > I have a PAW generated with Atompaw and when used with pw.x the code
> > stops
> > at : [...]
>
>
> Dear Hichem,
> they both work perfectly here with Quantum-ESPRESSO ~4.2 compiled with G95
> 4.0.3 and atompaw compiled with gfortan 4.1.2.
>
> best regards
>
>
> --
> Lorenzo Paulatto IdR @ IMPMC/UPMC CNRS & Université Paris 6
> phone: +33 (0)1 44275 084 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
> mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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