[Wien] Install Wien2k using oneAPI

[Gavin Abo]

I believe it might have been the webpage at [1] that I followed to 
install oneAPI within Ubuntu, which had me run a single terminal command 
to install it:


sudo apt install intel-hpckit


I think I came across that webpage on the website at [2] having links to 
installation of oneAPI also for other Package Managers used by other 
Linux distributions such as Fedora, CentOS, etc.


For the source line in .bashrc, I think it was webpages [3,4] that I 
followed to put oneAPI (such as the ifort compiler) in the operating 
system environment which had me use:


source /opt/intel/oneapi/setvars.sh intel64


[1] 
https://www.intel.com/content/www/us/en/develop/documentation/installation-guide-for-intel-oneapi-toolkits-linux/top/installation/install-using-package-managers/apt.html#apt

[2] 
https://www.intel.com/content/www/us/en/develop/documentation/installation-guide-for-intel-oneapi-toolkits-linux/top/installation/install-using-package-managers.html#install-using-package-managers

[3] 
https://www.intel.com/content/www/us/en/develop/documentation/fortran-compiler-oneapi-dev-guide-and-reference/top/compiler-setup/using-the-command-line/specifying-the-location-of-compiler-components.html

[4] https://estuarine.jp/2021/03/install-oneapi/?lang=en


Kind Regards,

Gavin

WIEN2k user


On 2/22/2022 12:29 PM, delamora wrote:

> I installed the intel oneAPI
> I have in /etc/bashrc;
> source 
> /opt/intel/compilers_and_libraries_2019.0.117/linux/bin/compilervars.sh 
> -arch intel64 -platform linux
> Now I need the oneAPI source
>
> Saludos
>
> Pablo
>
> ------------------------------------------------------------------------
> *De:* Wien <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de 
> Peter Blaha <pblaha at theochem.tuwien.ac.at>
> *Enviado:* jueves, 11 de marzo de 2021 09:59 a. m.
> *Para:* wien at zeus.theochem.tuwien.ac.at <wien at zeus.theochem.tuwien.ac.at>
> *Asunto:* Re: [Wien] Install Wien2k using oneAPI
>
> I just installed oneAPI today  (it is free !!!). You need the Base and 
> the HPC (high performance computing) toolkit.
>
> It was trivial to install, but the setting of the environment is 
> slightly different.
>
>
> Once installed, WIEN2k compiles with the standard option (ifort+mkl) 
> without any changes.
>
>
> Am 11.03.2021 um 16:52 schrieb Laurence Marks:
>> Since nobody has responded, I will. I have oneAPI running without any 
>> issue for some months. Of course sometimes the installation is 
>> tricky. I suggest going ahead, then coming back to the list if there 
>> are any problems.
>>
>> On Wed, Mar 10, 2021 at 12:38 AM Riyajul Islam <riyajul80 at gmail.com> 
>> wrote:
>>
>>     Dear Wien2k users,
>>     I have used Intel parallel studio for intel fortran compiler to
>>     install Wien2k 19.2 but the license has expired. As they have
>>     recently transitioned from Intel Parallel Studio XE to Intel
>>     oneAPI, so is there any way that I can install Wien2k using Intel
>>     oneAPI?
>>
>>     Kind regards
>>     -- 
>>     Riyajul Islam
>>     National Institute of Technology Nagaland
>>
>> -- 
>> Professor Laurence Marks
>> Department of Materials Science and Engineering
>> Northwestern University
>> www.numis.northwestern.edu <http://www.numis.northwestern.edu/>
>> "Research is to see what everybody else has seen, and to think what 
>> nobody else has thought" Albert Szent-Györgyi
>>
> -- 
> -----------------------------------------------------------------------
> Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-158801165300
> Email:peter.blaha at tuwien.ac.at  <mailto:peter.blaha at tuwien.ac.at>           
> WWW:http://www.imc.tuwien.ac.at  <http://www.imc.tuwien.ac.at>       WIEN2k:http://www.wien2k.at  <http://www.wien2k.at>
> -------------------------------------------------------------------------
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