[Wien] joint error

[Peer Kruse]

I believe that it can happen to linux systems (redhat 9 for example) if 
you do not use the latest nfs patches.

Best regards
Peer Kruse

Torsten Andersen wrote:

> I believe that it is more likely a compiler error. I have seen some 
> similar errors appearing at random on a linux system about a year 
> back. Please make sure you are using a recent version of the compiler. 
> Also: does it do it consistently?
>
> Best regards,
> Torsten Andersen.
>
> Fred Nastos wrote:
>
>> On September 14, 2004 08:59 am, taiiebeh molarooy wrote:
>>
>>> Dear users:
>>>
>>>    I want to calculte the OPTIC of PbTiO3 in tetragonal phase.
>>> but in x joint -c gives:
>>>
>>> {PGFIO-F-217/formatted read/unit=14/attempt to read past end of file.
>>> File name = PbTiO3.kgen    formatted, sequential access   record = 512
>>> In source file arbdos.f, at line number 166
>>> 2.280u 0.000s 0:02.73 83.5% 0+0k 0+0io 190pf+0w}
>>
>>
>>
>> Please povide more information.  The files PbTiO3.kgen and 
>> PbTiO3.outputkgen may help us help you.  More likely, the file 
>> PbTiO3.struct and the mian steps you took to in the calculation will 
>> tell us what you did wrong.
>>
>>
>>> and in band structure give the following error:
>>>
>>> Commandline: x lapw1 -band
>>> Program input is: ""
>>>
>>> [ PGFIO-F-214/formatted read/unit=0/READ not allowed for write-only 
>>> file.
>>> File name = stderr     formatted, sequential access   record = 0
>>> In source file inilpw.f, at line number 401
>>> 26.130u 0.010s 0:27.53 94.9%    0+0k 0+0io 219pf+0w]
>>
>>
>>
>> It seems like some files got mixed up when you went between different
>> types of calculations, so this is difficult to diagnose.
>>
>> I would guess the solution is to start over.  First try only to 
>> calculate only one of the band structure or optics.  I suggest the 
>> band structure first.  After you have a band structure, understand 
>> and trust it, should you then calculate the optics.  If starting over 
>> is too drastic, maybe someone else can provide some wisdom.
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
>