In addition: You have to tell us exactly what you did !!!
"I installed wien2k 21.1" does not say anything. Apparently, you
installed it in a wrong way. How did you install it ? Describe the
commands you used and also every message the system sends back to you.
And remember: which WIEN2k version you will be using depends on what
WIENROOT variable you set in your .bashrc file. This gets updated by
using "userconfig_lapw". It seems your "siteconfig" still points to the
old installation. ???
Am 06.01.2023 um 08:53 schrieb naincy Pandit:
RESPECTED SIR
as you told me to install oneAPI so i did it and now it is installed
but there is a problem with Wien2k previously I have Wien2k 19.01 and
now I installed Wien2k 21.1.
please tell me how to uninstall the older version so that the new one
comes into account
again there is a problem that is
/home/naincy/WIEN2k_21.1/lapw1: Command not found.
0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command /home/naincy/WIEN2k_21.1/lapw1 lapw1.def failed
you told me to do ./siteconfig, i already did it but this comes
* ***********************************************************************
* Update a package from its SRC_XX.tar.gz file *
***********************************************************************
Available packages:
ls: No match.
ls: No match.
Specify the name of the package XX (e.g. lapw1): lapw1
SRC_lapw1.tar.gz does not exist. Please check.
***********************************************************************
* Update a package from its SRC_XX.tar.gz file *
***********************************************************************
Available packages:
ls: No match.
ls: No match.
Specify the name of the package XX (e.g. lapw1): *
lapw1.tar.gz is not present only two folders *lapw1para_lapw
*and* lapw1para_lapw*.*orig* exists and I m not able to correct it
please help me out.
On Wed, 4 Jan 2023 at 17:26, Laurence Marks <laurence.ma...@gmail.com>
wrote:
What you sent describes the issue:
/home/naincy/WIEN2k_21.1/nn: Command not found
That means you did not compile it correctly. Go back and check for
errors during the compilation when you did siteconfig. For
instance, go to /home/Nancy/WIEN_21.1, do ./siteconfig and
recompile just nn (for instance).
Look at the errors.
--
Professor Laurence Marks
Department of Materials Science and Engineering, Northwestern
University
www.numis.northwestern.edu <http://www.numis.northwestern.edu>
"Research is to see what everybody else has seen, and to think
what nobody else has thought" Albert Szent-Györgyi
On Wed, Jan 4, 2023, 04:44 naincy Pandit
<naincypandi...@gmail.com> wrote:
Dear Prof. Blaha sir and Wien2k users,
i am working with Wien2k_21.1 version with Ubuntu 22.04 with oneAPI
installed recently after installation i m geeting this type of error
stop error
error: command /home/naincy/WIEN2k_21.1/nn nn.def failed
0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
/home/naincy/WIEN2k_21.1/nn: Command not found.
next is nn
file BaZrS3.struct_setrmt generated
atom Z RMT-max RMT
Use of uninitialized value $rmt[3] in sprintf at
/home/naincy/WIEN2k_21.1/setrmt_lapw line 249, line 41.
Use of uninitialized value $rmt[2] in sprintf at
/home/naincy/WIEN2k_21.1/setrmt_lapw line 249, line 32.
Use of uninitialized value $rmt[1] in sprintf at
/home/naincy/WIEN2k_21.1/setrmt_lapw line 249, line 19.
Use of uninitialized value $rmt[0] in sprintf at
/home/naincy/WIEN2k_21.1/setrmt_lapw line 249, line 10.
readline() on closed filehandle NN at
/home/naincy/WIEN2k_21.1/setrmt_lapw line 163.
readline() on closed filehandle NN at
/home/naincy/WIEN2k_21.1/setrmt_lapw line 152.
error: command /home/naincy/WIEN2k_21.1/nn nn.def failed
0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
/home/naincy/WIEN2k_21.1/nn: Command not found.
i tried to solve my problem using this link
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07912.html
also tried thishttps://www.youtube.com/watch?v=nify81ZbzkU
but it didnot worked.
please guide me and give your valueable response.
_______________________________________________
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
_______________________________________________
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: +43-158801165300
Email:peter.bl...@tuwien.ac.at
WWW:http://www.imc.tuwien.ac.at WIEN2k:http://www.wien2k.at
-------------------------------------------------------------------------
_______________________________________________
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
