[Wien] Regarding the wien2k scf calculation initialization.

[Peter Blaha]

A Linux distribution has a wealth of software included, but most of it 
is not installed by default.

You have to install the the fftw library yourself. How this is done 
depends on your Linux version.

Don't compile the mpi version of wien2k. It is not necessary with your 
hardware of a single PC.


Am 17.05.2023 um 11:44 schrieb chethanv Research Scholar:
> Both these files are not installed  can you tell how to include this files or can you share thi installed file.
> libfftw3_mpi.alibfftw3_mpi.la  <http://libfftw3_mpi.la>
>
> On Wed, May 17, 2023 at 10:21 AM chethanv Research Scholar 
> <chethanv at physics.uni-mysore.ac.in> wrote:
>
>     Thank you for your email. I don't know what is the reason and
>     error about dstart , I am attaching the compile.msg please guide
>     me to install correctly
>
>     On Tue, May 16, 2023 at 9:38 PM chethanv Research Scholar
>     <chethanv at physics.uni-mysore.ac.in> wrote:
>
>         Thank you for your reply. I am attaching the compile.msg file
>         below please let me know how to resolve this issue.
>
>
>         On Tue, May 16, 2023 at 6:25 PM chethanv Research Scholar
>         <chethanv at physics.uni-mysore.ac.in> wrote:
>
>             I am running wien version 23.2 on a AMD Ryzen9 machine
>             with gcc fortran compilers.
>              I get the following error
>
>             error: command   /home/admin123/WIEN2k_23/dstartpara dstart.def   failed
>             0.025u 0.002s 0:00.26 7.6%	0+0k 0+32io 0pf+0w
>             dstart: Command not found.
>
>
>
>             with best regards
>             Chethan V.
>             Junior Research Fellow
>             University of Mysore
>             Ph. No. 8050435657
>
>
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-- 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email:peter.blaha at tuwien.ac.at           
WWW:http://www.imc.tuwien.ac.at       WIEN2k:http://www.wien2k.at
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