This is perfectly ok and the new default behaviour in version 23.2
Please read the UG or look at the changes for wien2k_23 (update section
on our web site.
init_lapw -h will tell you how to switch to the old behaviour, but this
is NOT the recommended way. Instead you can select your desired
Dear Sir, I am running wien2k_23.2 on a i7 machine having 8 cores with ubuntu as OS along with intel oneapi compiler.I have successfully installed wien2k_23.2 without LIBXC and it is running smoothly in the user interface of browser. But whenever I try to start the initialization using terminal wit
n...@zeus.theochem.tuwien.ac.at> en nombre de Peter Blaha <
> pbl...@theochem.tuwien.ac.at>
> Enviado: viernes, 15 de abril de 2016 07:50 a. m.
> Para: A Mailing list for WIEN2k users
> Asunto: Re: [Wien] Regarding WIEN2K
>
> There are MANY very good codes out on the marke
Resp sir Petr Blaha
Thanks sir, for your reply.
Regards
Sikander
On 15 Apr 2016 14:54, "Peter Blaha" wrote:
> There are MANY very good codes out on the market, both with
> pseudopotentials and all-electrons.
>
> All codes have there advantages AND disadvantages and therefore it is good
> if one (
] Regarding WIEN2K
There are MANY very good codes out on the market, both with
pseudopotentials and all-electrons.
All codes have there advantages AND disadvantages and therefore it is
good if one (usually the supervisor) knows the merrits of the different
methods/codes.
In any case, I always say: the best
There are MANY very good codes out on the market, both with
pseudopotentials and all-electrons.
All codes have there advantages AND disadvantages and therefore it is
good if one (usually the supervisor) knows the merrits of the different
methods/codes.
In any case, I always say: the best cod
Dear sir Petr Blaha and others
Why FOR FPLAPW method WIEN2K code is preferred than other FP codes like
fleur code and others.
Regards
Sikander
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Dear all,
Thank you for suggesting me about fftw compilers. Now i installed
fftw-3.3.2 succesfully, But i got same error again. Here i am giving
complete details
F77=ifort
FC=ifort
MPIF90=mpiifort
cc=cc
Serial
ichecked libfftw3f.a and libfftw3f_mpi with " nm
/applications/ice/fftw/lib/libfftw3f_
Please see
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2010-October/013890.html how
to configure your fftw2 libs. It should help.
Best regards,
Maxim Rakitin
SUSU, Chelyabinsk, Russia
Email: rms85 at physics.susu.ac.ru
Web: http://www.susu.ac.ru
02.07.2012 3:16, Kondaiah Sa
The reason is you need fftw-2.1.5
On Mon, Jul 2, 2012 at 9:32 AM, Kondaiah Samudrala
wrote:
> Dear all,
>
> Thank you for suggesting me about fftw compilers. Now i installed fftw-3.3.2
> succesfully, But i got same error again. Here i am giving complete details
> F77=ifort
> FC=ifort
> MPIF90=mpi
Dear Prof. Laurence Marks.
thank you for your favorable reply. I checked and followed your
instructions, installed fftw (with prefix and f77=ifort) successfully.
Now, the errors are reduced but my problem is not solved. now the error
coming like this.
fftw_para.o: In function `exec_fftw_para_':
Dear all,
Thank you for correct me. Even i checked with same version of MKL linker
flags (11.1/038), i got same error
/home/gvacrc/fftw/fftw-2.1.5/mpi/.libs/libfftw_mpi.a(fftw_f77_mpi.o): In
function `fftwnd_f77_mpi_create_plan_':
fftw_f77_mpi.c:(.text+0xfd): undefined reference to `fftw_reverse_
What about CC ?
I used (bash)
export CC=icc F77=ifort
(Note, my mpicc and mpif77 are setup with ifort already.) Then:
./configure CFLAGS=-O2 -xHost -pc80 -no-complex-limited-range -mp1
-prec_div -no-fast-transcendentals -prec-sqrt --enable-mpi
--prefix=..
Please note, it is CC and F77 not cc
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