The block of informational messages that starts with "initializing
oneAPI environment" and ends with "oneAPI environment initialized" is
normal. However, the WARNING message after that is not normal.
Although, it is just a warning such that oneAPI will likely still work
fine. However, just as the warning says it is detecting that you are
running setvars.sh more than one time in your .bashrc (or .cshrc).
Thus, if you edit .bashrc to have only the one source line with the
setvars.sh then the warning should disappear.
Kind Regards,
Gavin
WIEN2k user
On 3/8/2022 5:25 PM, delamora wrote:
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
<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
<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
<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
<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 <http://www.imc.tuwien.ac.at> WIEN2k:http://www.wien2k.at <http://www.wien2k.at>
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