[Pw_forum] Re: Pw_forum digest, Vol 1 #1173 - 1 msg

Tianshu Li tsli at ucdavis.edu
Sat Oct 7 08:42:16 CEST 2006


Hi Paolo,

Thanks for your reply.

In fact the code works perfectly if it reads the output generated from 
the same version. It only gives problem when there is a file I/O across 
the different versions. So this is just what you've described.

Tianshu

pw_forum-request at pwscf.org wrote:

>From: Paolo Giannozzi <giannozz at nest.sns.it>
>Subject: Re: [Pw_forum] Compatibility among different versions
>Date: Sat, 7 Oct 2006 01:16:29 +0200
>To: pw_forum at pwscf.org
>Reply-To: pw_forum at pwscf.org
>
>On Oct 6, 2006, at 1:40 , Tianshu Li wrote:
>
>  
>
>>I am curious if there might be a compatibility problem in file I/O  
>>among
>>different versions, because when I used the post-processing code, for
>>instance, pp.x in the latest version (v.3.1.1) to read the .save file
>>generated in the previous version (v.3.0), it complained it could not
>>find the .save file.
>>    
>>
>
>this is definitely a compatibility problem!
>
>  
>
>>The message is like:
>>
>>from pp_check_file : error #         1
>>file  **********************/**.save not found.
>>
>>I noticed that in the latest version the new function "pp_check_file"
>>was added to the xml_io_base.f90. This might be what gives the  
>>problem,
>>but I am not very sure of that. Thanks
>>    
>>
>
>in principle with the new format there shouldn't be any longer any
>problem of incompatibility, because the file format is extensible, i.e.
>if something more is needed, one just adds a new field, without
>breaking the rest. Or at least, so goes the theory. In practise:
>
>- one may realise that the way things are done is not smart and that
>it needs to be changed, so that a field name or the content of a field
>may no longer be what it used to be. This happens especially at the
>beginning, when the file format has to stabilize.
>
>- if something is added to the file format, the code reading it should
>be aware that something may be missing from files produced by earlier
>versions, For instance, this "pp_check_file" stuff was added to read
>a tag that is written at convergence. In the first version, the code  
>simply
>stopped if there was no such tags, thus making all files produced by
>previous versions unreadable. Now this should be corrected.
>
>In the future we hope that there will be no incompatible changes.
>For the past ... the past is gone. The specific error you have looks
>very strange and I am not sure it is related to the file format. Does
>it work if you try to read files produced with the same version of
>the code?
>
>Paolo
>
>
>
>
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>End of Pw_forum Digest
>
>  
>


-- 
Tianshu Li
Chemistry Department
University of California, Davis
Tel: 1-530-754-9664

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