Re: [Wien] SCF Cycle's problem at WIEN2k 19.1

河上　匠 Mon, 14 Oct 2019 20:03:51 -0700

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 t...@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.tak...@i.mbox.nagoya-u.ac.jp>

Reply-To: A Mailing list for WIEN2k users<wien@zeus.theochem.tuwien.ac.at>

To: A Mailing list for WIEN2k users <wien@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 thebeginning,

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 t...@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.tak...@i.mbox.nagoya-u.ac.jp>

Reply-To: A Mailing list for WIEN2k users<wien@zeus.theochem.tuwien.ac.at>

To: wien@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 duringprocessing 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.tak...@i.mbox.nagoya-u.ac.jp
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-- -----------------------------------------------
Nagoya Univercity
Takumi Kawakami
E-mail:kawakami.tak...@i.mbox.nagoya-u.ac.jp
-----------------------------------------------
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Wien mailing list
Wien@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

_______________________________________________
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Wien@zeus.theochem.tuwien.ac.at
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SEARCH the MAILING-LIST at:
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--
-----------------------------------------------
Nagoya Univercity
Takumi Kawakami
E-mail:kawakami.tak...@i.mbox.nagoya-u.ac.jp
-----------------------------------------------
_______________________________________________
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Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
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Re: [Wien] SCF Cycle's problem at WIEN2k 19.1

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