[Wien] SCF Cycle's problem at WIEN2k 19.1

[河上 匠]

Hello,

The file x_lapw and its link x exist in /home/tokunaga/wien2k/ .
Also when I listed the directory of /home/tokunaga/wien2k/ with "ls -l",
I was able to confirm the following display:

lrwxrwxrwx  1 tokunaga tokunaga         6 Oct 11 14:00 x -> x_lapw
-rw-r--r--  1 tokunaga tokunaga    107358 Oct 11 14:01 x_lapw

Please tell us about the next solution.

2019-10-11 17:34 に tran at theochem.tuwien.ac.at さんは書きました:
> 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
>>>> -----------------------------------------------
>>>> _______________________________________________
>>>> 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
>>>> 
>>> _______________________________________________
>>> 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
>> 
>> -- -----------------------------------------------
>> Nagoya Univercity
>> Takumi Kawakami
>> E-mail:kawakami.takumi at i.mbox.nagoya-u.ac.jp
>> -----------------------------------------------
>> _______________________________________________
>> 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
>> 
> _______________________________________________
> 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

-- 
-----------------------------------------------
Nagoya Univercity
Takumi Kawakami
E-mail:kawakami.takumi at i.mbox.nagoya-u.ac.jp
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