[Wien] relinking the code, keeping compiled object files

Peter Blaha peter.blaha at tuwien.ac.at
Tue May 30 11:23:48 CEST 2023


Dear Gavin

Thank you very much for the detailed istallation descriptions. It should 
be very useful for new users.

If you allow, I'll make a link at the installation page to these 2 
documents.


I've only one comment: You also installed the mpi version of the code 
but you did not install ELPA.

Without ELPA the lapw1mpi code is quite slow and thus of limited use.


I very much recommend to install ELPA if you want also the mpi version 
of the code. Note, that this mpi-compilation is only useful if you have 
a cluster with infiniband network or at least a very powerful multicore 
workstation (probably min 16 cores).


Best regards

Peter Blaha


Am 28.05.2023 um 20:10 schrieb Gavin Abo:
>
> I was able to compile and link without any build errors a fresh 
> install of WIEN2k 23.2 using gfortran 11.3.0 in Ubuntu 22.04.2 LTS 
> today.  Should it be of interest to anyone installing the 23.2 version 
> of WIEN2k, the PDF in which I recorded the steps should be at:
>
>
> https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_gfortran.pdf
>
>
> Kind Regards,
>
> Gavin
>
> WIEN2k user
>
>
> On 5/28/2023 9:57 AM, Ilias Miroslav, doc. RNDr., PhD. wrote:
>> Hello,
>>
>> after lenghty compilation of Wien2k the linking step crashed. It 
>> there a quick way just to fix the linking command and relink the code 
>> for getting final executables ?
>>
>> Wien2k setup offers only recompilation of the whole bunch, without 
>> checking if files were previously compiled.
>>
>> Best, Miro
>
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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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