It is rather trivial:
When you modified the x_lapw script, you made a new file, which does not
have "execution" permission. In Linux only files with "x" permisions can
be executed.
chmod +x x_lapw
Am 15.10.2019 um 05:02 schrieb 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 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 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 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 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.tak...@i.mbox.nagoya-u.ac.jp
-----------------------------------------------
_______________________________________________
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
_______________________________________________
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
-- -----------------------------------------------
Nagoya Univercity
Takumi Kawakami
E-mail:kawakami.tak...@i.mbox.nagoya-u.ac.jp
-----------------------------------------------
_______________________________________________
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
_______________________________________________
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
--
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
WWW:
http://www.imc.tuwien.ac.at/tc_blaha-------------------------------------------------------------------------
_______________________________________________
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