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

From: 文沈 <wshen02@gmail.com>
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 11:26:09 -0700
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Thanks,Yann,
Can I ask for which version of Abinit you use ifort as the complier? I tried Abinit-5-7-3, and it configure successfully, but when I do the make, it gives errors.
ifort -DHAVE_CONFIG_H -I. -I../.. -I../../src/defs -I../../src/defs   -O2 -g -c -o m_build_info.o m_build_info.F90
m_build_info.F90(32): error #7013: This module file was not generated by any release of this compiler.   [DEFS_BASIS]
use defs_basis
-----^
m_build_info.F90(171): error #6404: This name does not have a type, and must have an explicit type.   [STD_OUT]
unt=std_out
-----^
compilation aborted for m_build_info.F90 (code 1)

can you tell me what should I do here?

Wen

On Thu, Apr 23, 2009 at 11:02 AM, Yann Pouillon <yann.pouillon@ehu.es> wrote:

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