[Wien] Problem in x-optic

Peeyush kumar kamlesh peeyush.physik.rku at gmail.com
Sat Feb 15 17:37:37 CET 2020 

Thank you Gavin Sir and Laurence Marks
<https://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=from:%22Laurence+Marks%22>
 sir,
I will try to do it as per your instructions. Then I will tell you.

On Sat, Feb 15, 2020 at 7:34 AM Peeyush kumar kamlesh <
peeyush.physik.rku at gmail.com> wrote:

> 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!
>>>>>>
>>>>>>
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