[Octopus-users] succesfully compiled octopus on our new sgi altix

[Alberto Castro]

  This message is in MIME format.  The first part should be readable text,
  while the remaining parts are likely unreadable without MIME-aware tools.
  Send mail to mime@docserver.cac.washington.edu for more info.

---2000576041-1606574818-1076978736=:21237
Content-Type: TEXT/PLAIN; CHARSET=X-UNKNOWN
Content-Transfer-Encoding: QUOTED-PRINTABLE
Content-ID: <Pine.LNX.4.58.0402170046061.21237@nautilus.fis.uc.pt>


=09Hi, Sebastien,

=09Thanks for telling us about those problems. I will try to correct
them...

=09I attach you the input file that I believe was used to generate
the figure in teh CPC (although I am not sure that it was exactly that...)
We have had to change the names of some input variables as versions of the
code changed, so maybe you get some error messages depending on the
version that you are using. Please let me know.

=09Al.

************************************************************
Alberto Castro
PhD student.

Departamento de Fisica Teorica, Universidad de Valladolid
Valladolid (Spain)

Currently at:
DIPC, Paseo Manuel de Lardizabal, 4
San Sebastian (Spain)

alberto.castro@tddft.org
*************************************************************

On Mon, 16 Feb 2004, [iso-8859-1] S=E9bastien Hamel wrote:

>
> Hi!
>
> As the title says, I succesfully compiled the program on an sgi altix (12=
8
> processors) at the university of montreal. the os is linux.
>
> changes to the code I had to make for the intel fortran compiler 7 to wor=
k (we
> have some librairies issues ....errr problems with the new compiler):
>
> In mf_inc.F90, h_inc.F90 and states_inc.F90:
>
> added type definition for R_DOT and R_NRM2
>
> In td_exp_split.F90:
>
> added double complex :: zdotc
>
> In string_f.c:
>
> added <stdlib> in header.
>
>
> Now...static test on benzene and Na Na2 are done. Any other input and out=
put to
> test are welcome.
>
> In particular, as I am learning the code, I would like to have an input f=
or the
> time dependent calculation of benzene that should give me the optical
> adsorption (Fig 2) in the CPC paper.
>
> Cheers,
> Sebastien Hamel
>
>
>
>
>
> _______________________________________________
> Octopus-users mailing list
> Octopus-users@tddft.org
> http://www.tddft.org/mailman/listinfo/octopus-users
>
---2000576041-1606574818-1076978736=:21237
Content-Type: TEXT/PLAIN; CHARSET=US-ASCII; NAME=inp
Content-Transfer-Encoding: BASE64
Content-ID: <Pine.LNX.4.58.0402170045360.21237@nautilus.fis.uc.pt>
Content-Description: 
Content-Disposition: ATTACHMENT; FILENAME=inp
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---2000576041-1606574818-1076978736=:21237--