[CPMD-list] Fortran

[Axel Kohlmeyer]

On Tue, 17 Sep 2002 13:53:36 -0400 (EDT)  Natasa Mateljevic wrote:

natatsa,

> Dear Axel,  
> Thank you for your advice, maybe you can suggest a good book
> on Fortran? And by the way can you explain to me what does my question

probably any book, that explains fortran binary i/o.

> have to do with Fortran? I didnt ask a question about Fortran I asked you

everything. because you get the kind of error message you initially got
only if you supply either a text file or a file from a different platform,
when a fortran-binary file was expected. to understand this error, you have
to understand the destinction between 'formatted' and 'unformatted'
files in fortran. after all cpmd _is_ a fortran program.

> a question about how to interface Vanderbilt PPs to CPMD, after I got the
> files formatted. Also, I might be ignorant, but I never heard of small and
> big endian and I am also not sure what this has to do with my programming

i wrote about this IN DETAIL in an earlier mail. it means that a big endian
machine stores the bytes in a different way in its memory (i.e. big end
first) that a little endian machine. since fortran unformatted files
can be seen as a direct dump from memory to the file, this ordering matters.

> skills.I just did what was the most logical thing to do when I got the
> error that the files are unformatted, and now I have a problem because I
> cant get the code to work, with the formatted files. If you answered my
> questions straight I wouldnt be bugging you, but you are giving me answers
> that I dont understand and I still cant get this to work. Natasa
        ^^^^^^^^^^^^^^
	doesn't this tell you anything?
	
if you still can't figure out, what to do, then you should ask
someone else. i cannot tell you anything more, than i have already said.
just reread the old emails.


bye,
	axel.
	
	
p.s.: don't you think it to be kindof rude to send a reply to a personal
email on a mailing list?

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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.