[Wien] Wien2k jobs on non-Unix filesystems

[Gilles Hug]

Just an information about the Mac Os X Tiger: there is now a new  
possibility to format disks with casse sensitive filenames.
This solves the problem with case.inM files conflicting with case.inm.
Maybe Window will some day in the future conform to Unix convention…  
(or will die?).
Cheers,
Gilles

Le 13 avr. 06 à 11:41, Peter Blaha a écrit :

> Changing :log (or :parallel) would be easy and would not harm anybody.
>
> Changing case.inM would certainly lead to several "crashes", since  
> users
> would use old cases with new software,.....
>
> Anyway, before I consider this I a have a suggestion/question:  
> Isn't it
> possible to define a conversion of certain characters when mounting a
> windows filesystem ? (I vaguely remember this was also necessary for
> some CD-burning we did long time ago.)
>
> Regards
>
>> Recently it has become more common for us to store and/or  
>> transport Wien2k
>> jobs on non-Unix filesystems (**If you want to know why, see  
>> below).  These
>> are either networked drives using CIFS/SMB (Windows shares) or  
>> FAT32 or NTFS
>> partitions.  Wien2k, unfortunately, uses a few legitimate Unix  
>> filenames which
>> cause problems for CIFS.  While it is possible to zip or tar.gz  
>> the job before
>> transport/storage, this is inconvenient, especially for large jobs.
>>
>> The problems encountered are:  (1) The :log has a colon in it,  
>> making it
>> illegal in CIFS.  (2) The case.inm and case.inM use the same  
>> letters with
>> upper and lower case, making them the same file in CIFS (mixed  
>> case is
>> allowed, but not distinguished).  This affects some other mixer/ 
>> mini files.
>>
>> Is there any chance of having a great renaming in the Wien2k  
>> scripts, such
>> that :log is named case.log (and :parallel, etc.), and the mini files
>> duplicate the M (i.e. case.inMM for the mini input)?  If this is  
>> done, I'd
>> suggest renaming everything case.* (even .machines and .time1_1,  
>> etc.), but
>> this would only be for convenience, not functionality.  Making  
>> these small
>> changes would allow even running Wien2k jobs or analysis scripts  
>> on CIFS
>> filesystems, if necessary.
>>
>>
>>
>>
>>
>> ** Why would one store Unix files on a non-Unix filesystem?  We  
>> may be getting
>> a 7 TB RAID array that will be NFS mounted to the server (no  
>> problems) but
>> CIFS (i.e. Windows share) mounted to our desktop systems to allow  
>> user
>> authentication (problems, see below).  Another case is using large  
>> USB hard
>> drives, formatted for Windows.  It may be inconvenient to  
>> partition for Linux,
>> guessing what sizes will be needed and wasting some space.
>>
>> -- 
>> Jeff Spirko   spirko at lehigh.edu   spirko at gmail.com   WD3V   |=>
>>
>> The study of non-linear physics is like the study of non-elephant  
>> biology.
>>
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>>
>
>
>                                       P.Blaha
> ---------------------------------------------------------------------- 
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> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/ 
> theochem/
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