[Wien] Problem in x-optic

Laurence Marks laurence.marks at gmail.com
Fri Feb 14 19:01:09 CET 2020 

Wien2k is setup so that the name of the directory you are using, what we
call the "case", provides information about the specific problem. For
example, if one is performing calculations on titanium carbide, the
standard approach would be to use "TiC" for the name of the directory. Then
TiC.struct would be the structure file etc.

>From what you just sent it appears that the name of your directory at some
time was "case", and at another time was "KScC". You can't do this. You
need to ensure that you have just one name, and it is the directory name.

This seems to be an error in your use of linux and organization -- my guess.

On Fri, Feb 14, 2020 at 11:44 AM Peeyush kumar kamlesh <
peeyush.physik.rku at gmail.com> wrote:

> Sir,
> Greetings!
> Problem still exists. Error is appearing during running JOINT. Details of
> optic.def file as follows:
>
> 4, './case.mommat2' , 'UNKNOWN', 'FORMATTED', 0
>
> 5, 'case.inop' , 'OLD', 'FORMATTED', 0
>
> 6, 'case.outputop' , 'UNKNOWN', 'FORMATTED', 0
>
> 3, './case.symmat' , 'UNKNOWN', 'FORMATTED', 0
>
> 13, './case.symma1' , 'UNKNOWN', 'FORMATTED', 0
>
> 14, './case.symma2' , 'UNKNOWN', 'FORMATTED', 0
>
> 9, './case.mat_diag' , 'UNKNOWN', 'FORMATTED', 0
>
> 10,'./case.vector' , 'OLD', 'UNFORMATTED', 0
>
> 11,'./case.vectordn' , 'UNKNOWN' , 'UNFORMATTED' ,0
>
> 18,'case.vsp' , 'OLD', 'FORMATTED', 0
>
> 19,'case.vspdn' , 'UNKNOWN' , 'FORMATTED', 0
>
> 20,'case.struct' , 'OLD', 'FORMATTED', 0
>
> 28,'case.inso' , 'UNKNOWN', 'FORMATTED' , 0
>
> 24,'./case.mme' , 'UNKNOWN', 'FORMATTED', 0
>
> 25,'case.symop' , 'UNKNOWN', 'FORMATTED', 0
>
> 30,'case.inc', 'UNKNOWN', 'formatted',0
>
> 35,'case.corewf', 'UNKNOWN','formatted',0
>
> 36,'case.corewfdn', 'UNKNOWN','formatted',0
>
> 40,'case.pmat', 'UNKNOWN', 'FORMATTED', 0
>
> Kindly help me in solving this issue.
> Best regards!
>
> On Fri, Feb 14, 2020 at 5:41 PM Peeyush kumar kamlesh <
> peeyush.physik.rku at gmail.com> wrote:
>
>>  Dear Blaha Sir,
>> When I run JOINT it is showing following error:
>>
>> 'JOINT' -  can't open unit:  3
>>
>>  'JOINT' -  filename: ./KScC.symmat
>>
>>  'JOINT' -  status: OLD          form: FORMATTED
>>
>>
>> Best Regards
>>
>> On Fri, Feb 14, 2020 at 12:07 AM Peeyush kumar kamlesh <
>> peeyush.physik.rku at gmail.com> wrote:
>>
>>> Dear Sir,
>>> Thank you so much for you kind reply. I did not try joint. If it looks
>>> OK then i can try for joint and kram.
>>>
>>>
>>> On Thu, Feb 13, 2020 at 11:42 PM Peeyush kumar kamlesh <
>>> peeyush.physik.rku at gmail.com> wrote:
>>>
>>>> Dear Blaha Sir and Gavin Sir,
>>>> I am using WIEN2k_19.1. I read the previous problems. But I am unable
>>>> to find out the solution of my problem. Kindly look into it
>>>>
>>>> On Thu, Feb 13, 2020 at 1:16 AM Peeyush kumar kamlesh <
>>>> peeyush.physik.rku at gmail.com> wrote:
>>>>
>>>>> Sir,
>>>>> When I run the following command, I get error in its execution. Error
>>>>> is as follows:
>>>>>
>>>>> Commandline: *x optic -p *
>>>>> Program input is: *""*
>>>>>
>>>>> running OPTIC in parallel mode
>>>>> [1] 5101
>>>>> [2] 5108
>>>>> [3] 5132
>>>>> [4] 5137
>>>>>  OPTIC END
>>>>>  OPTIC END
>>>>>  OPTIC END
>>>>>  OPTIC END
>>>>> [4]  + Done                   ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f .lock_$lockfile[$p] ) >>  ...
>>>>> [3]  + Done                   ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f .lock_$lockfile[$p] ) >>  ...
>>>>> [2]  + Done                   ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f .lock_$lockfile[$p] ) >>  ...
>>>>> [1]  + Done                   ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f .lock_$lockfile[$p] ) >>  ...
>>>>>    Summary of opticpara:
>>>>>    localhost     user=0  wallclock=40716
>>>>> cat: .case.symmat_1: No such file or directory
>>>>> cat: .case.symma1_1: No such file or directory
>>>>> cat: .case.symma2_1: No such file or directory
>>>>> cat: .case.mat_diag_1: No such file or directory
>>>>> cat: .case.mme_1: No such file or directory
>>>>> rm: cannot remove '.case.symmat_1': No such file or directory
>>>>> rm: cannot remove '.case.mat_diag_1': No such file or directory
>>>>> rm: cannot remove '.case.mme_1': No such file or directory
>>>>> tail: cannot open '.case.symmat_2' for reading: No such file or directory
>>>>> tail: cannot open '.case.symma1_2' for reading: No such file or directory
>>>>> tail: cannot open '.case.symma2_2' for reading: No such file or directory
>>>>> tail: cannot open '.case.mat_diag_2' for reading: No such file or directory
>>>>> tail: cannot open '.case.mme_2' for reading: No such file or directory
>>>>> rm: cannot remove '.case.symmat_2': No such file or directory
>>>>> rm: cannot remove '.case.mat_diag_2': No such file or directory
>>>>> rm: cannot remove '.case.mme_2': No such file or directory
>>>>> tail: cannot open '.case.symmat_3' for reading: No such file or directory
>>>>> tail: cannot open '.case.symma1_3' for reading: No such file or directory
>>>>> tail: cannot open '.case.symma2_3' for reading: No such file or directory
>>>>> tail: cannot open '.case.mat_diag_3' for reading: No such file or directory
>>>>> tail: cannot open '.case.mme_3' for reading: No such file or directory
>>>>> rm: cannot remove '.case.symmat_3': No such file or directory
>>>>> rm: cannot remove '.case.mat_diag_3': No such file or directory
>>>>> rm: cannot remove '.case.mme_3': No such file or directory
>>>>> tail: cannot open '.case.symmat_4' for reading: No such file or directory
>>>>> tail: cannot open '.case.symma1_4' for reading: No such file or directory
>>>>> tail: cannot open '.case.symma2_4' for reading: No such file or directory
>>>>> tail: cannot open '.case.mat_diag_4' for reading: No such file or directory
>>>>> tail: cannot open '.case.mme_4' for reading: No such file or directory
>>>>> rm: cannot remove '.case.symmat_4': No such file or directory
>>>>> rm: cannot remove '.case.mat_diag_4': No such file or directory
>>>>> rm: cannot remove '.case.mme_4': No such file or directory
>>>>> 145.7u 3.8s 1:48.68 137.6% 0+0k 5932576+404504io 35pf+0w
>>>>>
>>>>> Kindly suggest the solution.
>>>>>
>>>>> Best regards!
>>>>>
>>>>> _______________________________________________
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: www.numis.northwestern.edu/MURI
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
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