Several Points:
a) Please read http://www.wien2k.at/reg_user/mailing_list/ for information
on what type of information is needed before you make a post. For certain
you have not provided enough.
b) The error being reported is correct (albeit with a spelling error). You
probably have overlapping a
Sir,
I am using Wien2k19.2 in my workstation with ubuntu os and when i try
to generate the structure by generating template and giving the
lattice parameters manually and then run initialiastion, i am getting
the following error
next is setrmt
next is nn
STOP NN ENDS
specify nn-bondle
OrthoOpt is once again available. Thank you for the report!
--
Eamon McDermott, M.Sc.
Institute of Materials Chemistry, TU Wien
eamon.mcderm...@tuwien.ac.at
Office: +43 (1)58801-165304
Meet with me: http://doodle.com/eamon.mcdermott
On Mon, 21 Mar 2016 at 11:29 Tomas Kana wrote:
> Dear professo
Dear professor Blaha and co-workers,
Would you please correct the error in the wien2k web page
in the section Unsupported software goodies?
The package OrthoOpt is not available in the link
http://www.wien2k.at/reg_user/unsupported/OrthoOpt/
Thank you very much.
__
There is not much information in your mail about an error message. It
seems clear that it fails in the lapw1 step (but even this could be a
follow-up of a problem in lapw0).
Very often the problem lies in the definition of the "blacs"-library.
You have:
-lmkl_blacs_lp64
but this must be adapt
Hello,
My WIEN2k 14 serial jobs run fine but my MPI jobs always crash in the first
SCF cycle. I get the following message in the log file:
LAPW0 END
PuO2_bulk.scf1up_1: No such file or directory.
grep: *scf1up*: No such file or directory
PuO2_bulk.scf1dn_1: No such file or directory.
grep: *scf1
Dear
WIEN2k developers and users
I have a problem in installing the latest wien2k in UBUNTU 11.10 64 bit OS. My
computer specification is dell inspiron laptop having intel centrino duo
processor, 3 GB RAM and clock speed 2GHz. I have successfully installed the
composer xe 2011 and edit my bash a
My system is different, but I'm able to reproduce a bus error with your
R_LIBS settings and the previous settings I provided. I can resolve the
error on my system by using the LP64 (32-bit integer) interface layer
instead of ILP64 (64-bit integer).
Adjust your R_LIBS settings for LP64 or my at
Dear
WIEN2k sevelopers and users
I have a problem in installing the latest wien2k in UBUNTU 11.10 64 bit OS. My
computer specification is dell inspiron laptop?having intel centrino duo
processor, 3 GB RAM and clock speed 2GHz. I have successfully installed the
composer xe 2011 and edit my bash a
Did you use dynamic linking? I'm not sure, but there might be some bugs
in the dynamic mkl libraries in the latest composer xe (update 9). You
might try the below siteconfig settings for static linking and see if
the error goes away.
I couldn't find the download for update 10 on intel's websi
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