[Wien] SCF Cycle's problem at WIEN2k 19.1
河上 匠
kawakami.takumi at i.mbox.nagoya-u.ac.jp
Fri Oct 11 09:58:39 CEST 2019
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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Nagoya Univercity
Takumi Kawakami
E-mail:kawakami.takumi at i.mbox.nagoya-u.ac.jp
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