[Wien] SCF Cycle's problem at WIEN2k 19.1

[tran at theochem.tuwien.ac.at]

Hi,

Is the file x_lapw and its link x still present in /home/tokunaga/wien2k/ ?
If you list the WIENROOT directory with "ls -l" you should see them:
/home/tokunaga/wien2k/x_lapw
/home/tokunaga/wien2k/x -> x_lapw

On Friday 2019-10-11 09:58, 河上　匠 wrote:

>Date: Fri, 11 Oct 2019 09:58:39
>From: 河上　匠 <kawakami.takumi at i.mbox.nagoya-u.ac.jp>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>Subject: Re: [Wien] SCF Cycle's problem at WIEN2k 19.1
>
> Thank you your advise, Mr.Tran.
>
> I deleted it in x_lapw:
>
> 15,'$file.tmp$updn',       'scratch','unformatted',0
>
> But, in show STDOUT, SCF Cycle stops again at the next step:
>
> hup: Command not found.
> /home/tokunaga/wien2k/x: 險ｱ蜿ｯ縺後≠繧翫∪縺帙ｓ.
>
> In addition, when the initialize calculation is repeated from the 
> beginning,
> the following error message is displayed at x nn;
>
> sh: 23: x: Permission denied
>
> What can be the source of this error?
>
> Sincerely,
> Takumi Kawakami
>
> 2019-10-10 17:47 に tran at theochem.tuwien.ac.at さんは書きました:
>> Hi,
>> 
>> The solution should be here:
>> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18771.html
>> 
>> As written, delete
>> 15,'$file.tmp$updn',       'scratch','unformatted',0
>> in the file $WIENROOT/x_lapw
>> 
>> F. Tran
>> 
>> On Thursday 2019-10-10 09:05, 河上　匠 wrote:
>>> Date: Thu, 10 Oct 2019 09:05:55
>>> From: 河上　匠 <kawakami.takumi at i.mbox.nagoya-u.ac.jp>
>>> Reply-To: A Mailing list for WIEN2k users 
>>> <wien at zeus.theochem.tuwien.ac.at>
>>> To: wien at zeus.theochem.tuwien.ac.at
>>> Subject: [Wien] SCF Cycle's problem at WIEN2k 19.1
>>> 
>>> Dear WIEN2k users,
>>> 
>>> I am a beginner of WIEN2k.
>>> I am trying to calculate TiC, but the error occurred during processing 
>>> of SCF Cycle.
>>> 
>>> In show STDOUT, SCF Cycle stops at the next step:
>>> 
>>> hup: Command not found.
>>> STOP  LAPW0 END
>>> STOP  LAPW1 END
>>> STOP LAPW2 - Error. Check file lapw2.error
>>>
>>>>   stop error
>>> 
>>> And the following error message is displayed:
>>> 
>>> 'LAPW2' - can't open unit: 15
>>> 'LAPW2' -        filename: TiC.tmp
>>> 'LAPW2' -          status: scratch      form: unformatted
>>> 
>>> Could you tell me how to solve this problem?
>>> 
>>> Sincerely yours,
>>> Takumi Kawakami
>>> 
>>> -- -----------------------------------------------
>>> Nagoya Univercity
>>> Takumi Kawakami
>>> E-mail:kawakami.takumi at i.mbox.nagoya-u.ac.jp
>>> -----------------------------------------------
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>>> Wien mailing list
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>>> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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>
> -- 
> -----------------------------------------------
> Nagoya Univercity
> Takumi Kawakami
> E-mail:kawakami.takumi at i.mbox.nagoya-u.ac.jp
> -----------------------------------------------
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