This looks like the WIEN2k 17.1 w2web bug reported before [1,2].
Are you using the fixed band.pl and scf.pl from the mailing list [3] or
band.patch and scf.patch [4] for WIEN2k 17.1?
[1]
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16743.html
[2]
https://www.mail-archive.c
It seems you forget the option -c.
More generally speaking to help users we need more details.
Best Regards
Xavier
Le 08/03/2018 à 04:45, Lalit Mohan a écrit :
My version is 7.1
During execution of band structure task
at command x lapw1 -band
i am getting following message
Commandline: *x
My version is 7.1
During execution of band structure task
at command x lapw1 -band
i am getting following message
Commandline: *x lapw1 -band *
Program input is: *""*
At line 75 of file modules_tmp_.F (unit = 5, file = 'root.in1c')
Fortran runtime error: End of file
0.003u 0.000s 0:00.00 0.0%
Předmět: [Wien] error in calculation
"
dear sir,
when i tried to calculate the c/a ratio at constant vol.there seems an error
no energy limits found for atom 1 L= 1
'SELECT' - E-bottom -3.72923 E-top -200.0
i want to know where to adj
dear sir,
when i tried to calculate the c/a ratio at constant vol.there seems an error
no energy limits found for atom 1 L= 1
'SELECT' - E-bottom -3.72923 E-top -200.0
i want to know where to adjust this energy..
___
Wien mailing list
Wien@zeu
03.04.2013 17:42, vishal jain wrote:
Dear Vishal Jain,
Error in run_lapw
>...
> nrl@nrl-desktop:~/WIEN/Vishal$ run_lapw
> hup: Command not found.
> /home/nrl/WIEN/lapw0: Command not found.
> > stop error
All programs of initialization have worked, so, you have correctly
written path to th
Dear Sir
Error in run_lapw
I shows how i am getting error
nrl@nrl-desktop:~$ cd WIEN
nrl@nrl-desktop:~/WIEN$ cd Vishal
nrl@nrl-desktop:~/WIEN/Vishal$ init_lapw
continue with lstart or restart with setrmt (c/r)
r
next is setrmt
Automatic determination of RMTs. Please specify the desired RMT redu
von "Gavin Abo [gsabo at
crimson.ua.edu]
Gesendet: Dienstag, 26. Juni 2012 15:35
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] error in calculation with wien2k
Try changing your options to:
current:LDFLAGS:$(FOPT) -L/opt/intel/mkl/9.1.023/lib/em64t -i-static -Bstatic
-lguid
Thank sir for your help but i have already error when execute run_lapw:
?LAPW0 END
?forrtl: severe (71): integer divide by zero
?
?Stack trace terminated abnormally.
?
?>?? stop error
?
BOUTAIBA Farouk
University of Science and Technology
of Oran
Tel:00213555497982
___
Try changing your options to:
current:LDFLAGS:$(FOPT) -L/opt/intel/mkl/9.1.023/lib/em64t -i-static
-Bstatic -lguide -L/lib64 -Bdynamic -lpthread
current:R_LIBS:-Bstatic -lmkl_lapack -lmkl_em64t -lguide -pthread
-Bdynamic -lpthread
Since your ifort/mkl is an old version, the "-static" should ha
Dear wien2k user;
after instalation of wien2k code,I am getting following error while running x
nn:
error while loading shared libraries: libguide.so: cannot open shared object
file: No such file or directory
0.000u 0.000s 0:00.00 0.0%? 0+0k 0+0io 0pf+0w
error: command?? /root/wien/nn nn.de
To remove the "libguide.so" error, try adding "-static" to the "L Linker
Flags" in ./siteconfig and recompile.
On 6/24/2012 9:36 AM, farouk boutaiba wrote:
> Dear wien2k user;
>
> after instalation of wien2k code, I am getting following error while
> running x nn:
>
> error while loading shared
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