Thank you Gavin,
Sorry for replying so late.
I have Fedora,
I put; source /opt/intel/oneapi/setvars.sh intel64
I still get many messages:
------------------------------
:: initializing oneAPI environment ...
-bash: BASH_VERSION = 5.1.8(1)-release
args: Using "$@" for setvars.sh arguments: intel64
:: advisor -- latest
:: ccl -- latest
:: clck -- latest
:: compiler -- latest
:: dal -- latest
:: debugger -- latest
:: dev-utilities -- latest
:: dnnl -- latest
:: dpcpp-ct -- latest
:: dpl -- latest
:: inspector -- latest
:: intelpython -- latest
:: ipp -- latest
:: ippcp -- latest
:: ipp -- latest
:: itac -- latest
:: mkl -- latest
:: mpi -- latest
:: tbb -- latest
:: vpl -- latest
:: vtune -- latest
:: oneAPI environment initialized ::
:: WARNING: setvars.sh has already been run. Skipping re-execution.
To force a re-execution of setvars.sh, use the '--force' option.
Using '--force' can result in excessive use of your environment variables.
usage: source setvars.sh [--force] [--config=file] [--help] [...]
--force Force setvars.sh to re-run, doing so may overload environment.
--config=file Customize env vars using a setvars.sh configuration file.
--help Display this help message and exit.
... Additional args are passed to individual env/vars.sh scripts
and should follow this script's arguments.
Some POSIX shells do not accept command-line options. In that case, you can
pass
command-line options via the SETVARS_ARGS environment variable. For example:
$ SETVARS_ARGS="ia32 --config=config.txt" ; export SETVARS_ARGS
$ . path/to/setvars.sh
The SETVARS_ARGS environment variable is cleared on exiting setvars.sh.
--------------------------
Is this ok?
________________________________
De: Wien <wien-boun...@zeus.theochem.tuwien.ac.at> en nombre de Gavin Abo
<gabo13...@gmail.com>
Enviado: miércoles, 23 de febrero de 2022 01:03 a. m.
Para: wien@zeus.theochem.tuwien.ac.at <wien@zeus.theochem.tuwien.ac.at>
Asunto: Re: [Wien] Install Wien2k using oneAPI
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-boun...@zeus.theochem.tuwien.ac.at><mailto:wien-boun...@zeus.theochem.tuwien.ac.at>
en nombre de Peter Blaha
<pbl...@theochem.tuwien.ac.at><mailto:pbl...@theochem.tuwien.ac.at>
Enviado: jueves, 11 de marzo de 2021 09:59 a. m.
Para: wien@zeus.theochem.tuwien.ac.at<mailto:wien@zeus.theochem.tuwien.ac.at>
<wien@zeus.theochem.tuwien.ac.at><mailto:wien@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
<riyaju...@gmail.com<mailto:riyaju...@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.bl...@tuwien.ac.at<mailto:peter.bl...@tuwien.ac.at>
WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at
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