[Wien] Problem in x-optic

[Peeyush kumar kamlesh]

Dear Laurence Marks
<https://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=from:%22Laurence+Marks%22>
 Sir,
Thank you so much for replying to my email. And I am sorry for providing
the different name of directory, it is my fault. But the name of directory
in wien2k is same for all calculations. I am using Wien2k_19.1. Do I need
to update it or any here is any other error?

On Fri, Feb 14, 2020 at 11:14 PM 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!
>>>>>
>>>>>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20200215/bdffd8e8/attachment.html>