[Wien] (no subject)

[Laurence Marks]

What almost certainly happened is that there was an earlier error, before
the mixer. Do "cat *.error" to find out what failed.

---
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
http://www.numis.northwestern.edu
Corrosion in 4D http://MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
On Jan 20, 2016 08:32, "said chibani" <chibanisaid102 at gmail.com> wrote:

> thank you for the solution  but there is another problem
> when he optimize I lanch this point -10  -5  0  5  10  in example Tic
>  S.vns -> ./S_vol_-10.0_default.vns
>    S.vnsup -> ./S_vol_-10.0_default.vnsup
>    S.vnsdn -> ./S_vol_-10.0_default.vnsdn
>    S.r2v -> ./S_vol_-10.0_default.r2v
>    S.r2vdn -> ./S_vol_-10.0_default.r2vdn
>
> broyden files deleted, clm*, dmat*, vorb*, vresp*, eece*, vsp*, vns*, scf,
> struct and input files saved under ./S_vol_-10.0_default
>
> running dstart in single mode
> STOP DSTART ENDS
> 3.3u 0.0s 0:03.40 99.7% 0+0k 0+392io 0pf+0w
> 0.0u 0.0s 0:00.05 100.0% 0+0k 0+352io 0pf+0w
> clmextrapol_lapw has generated a new S.clmsum
> hup: Command not found.
> STOP  LAPW0 END
> STOP  LAPW1 END
> STOP  LAPW2 END
> STOP  CORE  END
> At line 1015 of file mixer.F (unit = 22, file = 'S.scf')
> Fortran runtime error: Sequential READ or WRITE not allowed after EOF
> marker, possibly use REWIND or BACKSPACE
>
> >   stop error
> ERROR status in S_vol__-5.0
>
>
> 2016-01-20 2:00 GMT+01:00 Gavin Abo <gsabo at crimson.ua.edu>:
>
>> The WIEN2k program needs the case directory and files in it (like
>> case.struct) to have the same name [
>> http://zeus.theochem.tuwien.ac.at/pipermail/wien/2007-May/009136.html ].
>>
>> In your post, it looks like you have the following.
>>
>> case directory: WIEN2k
>> file: GaAs.struct
>>
>> However, it needs to be:
>>
>> case directory: GaAs
>> file: GaAs.struct
>>
>> You also have to be careful, because Linux is case sensitive [
>> http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg05727.html
>> ].
>>
>> On 1/19/2016 6:48 AM, said chibani wrote:
>>
>> Dear WIEN2K users I'm new in wien2k, when I tried the  the example of
>> GaAS, but it doesn't work
>>
>> :~/WIEN2k$ ./GaAs.struct
>> bash: ./GaAs.struct: Permission denied
>> said at said-S:~/WIEN2k$ x nn
>>  specify nn-bondlength factor: (usually=2) [and optionally dlimit, dstmax
>> (about 1.d-5, 20)]
>> 2
>> At line 123 of file nn.f (unit = 20, file = 'WIEN2k.struct')
>> Fortran runtime error: End of file
>> 0.0u 0.0s 0:01.89 0.0% 0+0k 0+0io 0pf+0w
>> error: command   /home/said/Documents/nn nn.def   failed
>> I could not solve this problem give me a solution at this problem
>>
>> 2015-12-23 12:08 GMT+01:00 said chibani <chibanisaid102 at gmail.com>:
>>
>>> - I am running wien2k version 14.2 on a  system  of type ubunto 12-04
>>> LTS
>>>
>>>  I'm a new user of WIEN2k. I installed WIEN2k in ubuntu 12.04
>>>
>>> I tried the TiC calculation, but it doesn't work.
>>> When I click the "x dstart" on the page of "initialize calculation"
>>> this is displayed.
>>> error: command   /home/said/WIEN2k/dstart dstart.def   failed
>>> Then I open "view TiC.outputd and cp TiC.in0_std TiC.in0",
>>> and there is
>>> System Error
>>> Can't read file //home/said/WIEN2k/TiC/TiC.outputd
>>> I could not solve this problem by myself. Please help me
>>>
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> SEARCH the MAILING-LIST at:
>> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>>
>>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20160121/334fac8f/attachment.html>