[CPMD-list] About RASTART file format

Axel Kohlmeyer axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Wed Sep 10 15:29:18 CEST 2003


On Wed, 10 Sep 2003 13:56:25 +0200  "Axel Kohlmeyer" wrote:

> 
> on a linux pc you can use the use the -Mbyteswapio or 
> the -byteswapio flag, if you have the PGI compiler.
> for the intel compiler (ifc/efc) you simply set the environment
> variable F_UFMTENDIA to big (i.e. 'export F_UFMTENDIA=big' if you are in
> a bourne/korn shell and 'setenv F_UFMTENDIA big' if are in a (t)csh)

correction. the name of the variable is: F_UFMTENDIAN

a.

> 
> check your compiler documentation for more details (search for endian).
> 
> hope this helps,
>      axel.
> 
> YY> Thank you in advance.
> 
> YY> Regard,
> YY> Yeohoon Yoon
> YY> ======================================
> YY> Yeohoon Yoon
> YY> PhD. Candidate
> YY> School of Chemistry, Seoul National University 
> YY> San56-1, Shillim-dong, Gwanak-gu, 
> YY> Seoul, Korea  151-742
> YY> Tel : ++82 2 879 2721      E-mail : klug at snu.ac.kr
> YY> ====================================== 
> YY> _______________________________________________
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> 
> 
> 
> --
> 
> =======================================================================
> Axel Kohlmeyer       e-mail: axel.kohlmeyer at theochem.ruhr-uni-bochum.de
> Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
> Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
> D-44780 Bochum  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
> =======================================================================
> If you make something idiot-proof, the universe creates a better idiot.
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--

=======================================================================
Axel Kohlmeyer      e-mail:  axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum                   http://www.theochem.ruhr-uni-bochum.de
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.



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