[Wien] Installation of wien2k in compact clusters.

[Gavin Abo]

I installed OneAPI (ifort 2021.9.0) on a computer today.  With it, I was 
able to compile and link without any build errors a fresh install of 
WIEN2k 23.2 in Ubuntu 22.04.2 LTS.

The installation seemed simpler with OneAPI as it took me 11 steps 
instead of the 14 it took me with gfortran.

Should it be of interest to anyone installing the 23.2 version of WIEN2k 
with OneAPI, 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_OneAPI(ifort).pdf

If interested in knowing the installation differences between OneAPI and 
gfortran, you may compare the OneAPI steps with those for gfortran.  The 
link to gfortran PDF is in the past post at:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22450.html

Kind Regards,

Gavin
WIEN2k user

On 5/29/2023 11:59 AM, Gavin Abo wrote:
>
> OneAPI likely can still be installed following the post at:
>
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg21942.html
>
> Looks like someone made a WIEN2k 23.2 install YouTube video here:
>
> https://youtu.be/_Gms-iie3Jo
>
> Since there is too many remote access (ssh, VPN) programs, I cannot 
> help with that as usage of each of them are different.  I suggest you 
> talk to your IT department at your organization as each organization 
> usually should have webpages with usage information, program 
> documentation for the particular cluster computer being used, and/or a 
> help desk that assists with usage.
>
> Kind Regards,
>
> Gavin
> WIEN2k user
>
> On 5/29/2023 4:09 AM, Burhan Ahmed wrote:
>>
>> Dear experts, I am having a compact cluster with 100gb RAM, 36 cores 
>> and 12 TB SATA hard disk. I want to install wien2k_23.1 version in my 
>> system with intel oneapi compiler, such that I can do the parallel 
>> calculation and also can do the remote access from outside the lab. 
>> Is there any installation tutorial available ( video will be helpful) 
>> apart from the wien2k user guide one.
>>
>> Regards
>>
>> Burhan Ahmed
>>
>> *Research Scholar, AUS *
>>
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