[Wien] relinking the code, keeping compiled object files

[Gavin Abo]

Yes, you may link to the 2 documents.


Yeah, I use those installation steps to get me quickly up and running, 
but I do run siteconfig again to make adjustments as needed whether that 
be adjusting NMATMAX per the "Site configuration for WIEN2k" of the 
WIEN2k usersguide, for linking in ELPA, adjusting the mpi remote 
configuration, and so on.


[1] http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf


Gavin

WIEN2k user


On 5/30/2023 3:23 AM, Peter Blaha wrote:
>
> 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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