[Wien] Regarding the wien2k scf calculation initialization.

Laurence Marks laurence.marks at gmail.com
Tue May 16 18:16:27 CEST 2023


To resolve the issue, please read your file!

It is very clear what the issue was

/Usr/bin/ld: cannot find /opt/OpenBLAS/lib/libopenblas.a: No such file or
directory

You setup your compile options using a nonexistent library for blas. You
have to solve this yourself as we do not know where it is. Probably you
made a mistake with options using site config.
Search for the library, the redo the compile options.

--
Professor Laurence Marks (Laurie)
Department of Materials Science and Engineering, Northwestern University
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 Tue, May 16, 2023, 11:08 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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