[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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