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Re: [abinit-forum] Dear all, who ever use the Kohn Sham structure(KSS) files with DP or EXC codes?

From: Yann Pouillon <yann.pouillon@ehu.es>
To: forum@abinit.org
Subject: Re: [abinit-forum] Dear all, who ever use the Kohn Sham structure(KSS) files with DP or EXC codes?
Date: Thu, 23 Apr 2009 20:02:15 +0200

Hi,

文沈 <wshen02@gmail.com> ha escrito:

I think my DP are using the intel ifort complier while the Abinit is using
gfortran complier.
But I have a question here, for DP, gfortran is not acceptable for the
version 5.1.3 and for Abinit I also read the configure information, ifort is
also not a choice for the fortran complier.

... but it works. You can either:

* build Abinit with ifort;
* try to build both codes with gfortran 4.3.3.

I didn't quite understand how to look at -fconvert=big-endian
-frecord-marker=4 (gfortran) or -convert big_endian (Intel) or similar
compiler flags.where can I see this?

The only way to be sure is to rebuild both codes with or without the flags.

But I think that if you rebuild Abinit with ifort using similar build flags to those you used for DP, everything should be fine.

Best regards,

Yann.

--
Yann Pouillon European Theoretical Spectroscopy Facility (ETSF)
Tel: (+34) 943 01 83 94 Centro Joxe Mari Korta, Avenida de Tolosa, 72
Fax: (+34) 943 01 83 90 20018 Donostia-San Sebastián (Gipuzkoa)
Web: http://www.etsf.es/ España

[abinit-forum] Dear all, who ever use the Kohn Sham structure(KSS) files with DP or EXC codes?, 文沈, 04/23/2009
- Re: [abinit-forum] Dear all, who ever use the Kohn Sham structure(KSS) files with DP or EXC codes?, Alain Jacques, 04/23/2009
  - Re: [abinit-forum] Dear all, who ever use the Kohn Sham structure(KSS) files with DP or EXC codes?, 文沈, 04/23/2009
    - Re: [abinit-forum] Dear all, who ever use the Kohn Sham structure(KSS) files with DP or EXC codes?, Yann Pouillon, 04/23/2009
      - Re: [abinit-forum] Dear all, who ever use the Kohn Sham structure(KSS) files with DP or EXC codes?, 文沈, 04/23/2009
        
        Re: [abinit-forum] Dear all, who ever use the Kohn Sham structure(KSS) files with DP or EXC codes?, Yann Pouillon, 04/23/2009
        
        Re: [abinit-forum] Dear all, who ever use the Kohn Sham structure(KSS) files with DP or EXC codes?, 文沈, 04/23/2009
        
        Re: [abinit-forum] Dear all, who ever use the Kohn Sham structure(KSS) files with DP or EXC codes?, Yann Pouillon, 04/24/2009
        Re: [abinit-forum] Dear all, who ever use the Kohn Sham structure(KSS) files with DP or EXC codes?, 文沈, 04/28/2009
        Re: [abinit-forum] Dear all, who ever use the Kohn Sham structure(KSS) files with DP or EXC codes?, 文沈, 04/28/2009