subject:"\[Wien\] Install Wien2k using oneAPI"

Re: [Wien] Install Wien2k using oneAPI

2022-03-10 Thread Dr . KISHOR KUMAR डॉ . किशोर कुमार

So the   .bashrc have two lines like..


source / OneAPI. compiler/vars.sh intel64   #for ifort compiler
source / OneAPI. mpi/vars.sh Intel64 #for mpi variables


Forgot text after # in above example when you edit   .bashrc

Dr. KISHOR KUMAR/डॉ. किशोर कुमार
Department of Physics/भौतिक विज्ञान विभाग
Mohanlal Sukhadia University, Udaipur 313001
मोहनलाल सुखाड़िया विश्वविद्यालय, उदयपुर 313001
Rajasthan, India | Mob. No. +91-8003180325
राजस्थान, भारत | मो. न. +91-8003180325

From: Wien  on behalf of Dr. KISHOR 
KUMAR डॉ. किशोर कुमार 
Sent: Friday, March 11, 2022 8:21:45 AM
To: A Mailing list for WIEN2k users 
Subject: Re: [Wien] Install Wien2k using oneAPI

If you do not want such warning message,  you have to give source path for 
individual compiler, mpi, etc.

To use wien code, you merely need ifort, mpiifort, and mpi.
Just edit your bash file for individual vars.sh and you can find it in oneAPI 
folder then sub directory like "mpi" and "compiler" then "env" folder.

Hence you have to source line   .bashrc

Good luck.

Dr. KISHOR KUMAR/डॉ. किशोर कुमार
Department of Physics/भौतिक विज्ञान विभाग
Mohanlal Sukhadia University, Udaipur 313001
मोहनलाल सुखाड़िया विश्वविद्यालय, उदयपुर 313001
Rajasthan, India | Mob. No. +91-8003180325
राजस्थान, भारत | मो. न. +91-8003180325

From: Wien  on behalf of Gavin Abo 

Sent: Wednesday, March 9, 2022 9:49:21 AM
To: wien@zeus.theochem.tuwien.ac.at 
Subject: Re: [Wien] Install Wien2k using oneAPI


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] [...]
  --forceForce 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 
<mailto:wien-boun...@zeus.theochem.tuwien.ac.at>
 en nombre de Gavin Abo <mailto:gabo13...@gmail.com>
Enviado: miércoles, 23 de febrero de 2022 01:03 a. m.
Para: wien@zeus.theochem.tuwien.ac.at<mailto:wien@zeus.theochem.tuwien.ac.at> 
<mailto: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/u

Re: [Wien] Install Wien2k using oneAPI

2022-03-10 Thread Dr . KISHOR KUMAR डॉ . किशोर कुमार

If you do not want such warning message,  you have to give source path for 
individual compiler, mpi, etc.

To use wien code, you merely need ifort, mpiifort, and mpi.
Just edit your bash file for individual vars.sh and you can find it in oneAPI 
folder then sub directory like "mpi" and "compiler" then "env" folder.

Hence you have to source line   .bashrc

Good luck.

Dr. KISHOR KUMAR/डॉ. किशोर कुमार
Department of Physics/भौतिक विज्ञान विभाग
Mohanlal Sukhadia University, Udaipur 313001
मोहनलाल सुखाड़िया विश्वविद्यालय, उदयपुर 313001
Rajasthan, India | Mob. No. +91-8003180325
राजस्थान, भारत | मो. न. +91-8003180325

From: Wien  on behalf of Gavin Abo 

Sent: Wednesday, March 9, 2022 9:49:21 AM
To: wien@zeus.theochem.tuwien.ac.at 
Subject: Re: [Wien] Install Wien2k using oneAPI


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] [...]
  --forceForce 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 
<mailto:wien-boun...@zeus.theochem.tuwien.ac.at>
 en nombre de Gavin Abo <mailto:gabo13...@gmail.com>
Enviado: miércoles, 23 de febrero de 2022 01:03 a. m.
Para: wien@zeus.theochem.tuwien.ac.at<mailto:wien@zeus.theochem.tuwien.ac.at> 
<mailto: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 inte

Re: [Wien] Install Wien2k using oneAPI

2022-03-08 Thread Gavin Abo

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  en nombre de 
Gavin Abo 

*Enviado:* miércoles, 23 de febrero de 2022 01:03 a. m.
*Para:* 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  
<mailto:wien-boun...@

[Wien] Install Wien2k using oneAPI

2022-03-08 Thread delamora

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] [...]
--forceForce 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 en nombre de Gavin Abo

Enviado: miércoles, 23 de febrero de 2022 01:03 a. m.
Para: 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
<mailto:wien-boun...@zeus.theochem.tuwien.ac.at>
en nombre de Peter Blaha
<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>
<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
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 Materia

Re: [Wien] Install Wien2k using oneAPI

2022-02-22 Thread 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  en nombre de 
Peter Blaha 

*Enviado:* jueves, 11 de marzo de 2021 09:59 a. m.
*Para:* 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  
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>

-___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Install Wien2k using oneAPI

2021-03-11 Thread Peter Blaha

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 > 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

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--
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 
"Research is to see what everybody else has seen, and to think what 
nobody else has thought" Albert Szent-Györgyi


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Phone: +43-158801165300
Email: peter.bl...@tuwien.ac.at
WWW:   http://www.imc.tuwien.ac.at  WIEN2k: http://www.wien2k.at
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Re: [Wien] Install Wien2k using oneAPI

2021-03-11 Thread 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  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
>
> ___
> Wien mailing list
> Wien@zeus.theochem.tuwien.ac.at
>
> https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!FKkETL-5jLbLm0qQ0ojSzxyA70Chd3yLLZAlh9Yi1WoJ-qZ4aVzufokABoC7A10Jr6LDlw$
> SEARCH the MAILING-LIST at:
> https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!FKkETL-5jLbLm0qQ0ojSzxyA70Chd3yLLZAlh9Yi1WoJ-qZ4aVzufokABoC7A12B24_idA$
>


-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what nobody
else has thought" Albert Szent-Györgyi
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[Wien] Install Wien2k using oneAPI

2021-03-09 Thread Riyajul Islam

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
___
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Re: [Wien] Install Wien2k using oneAPI

Re: [Wien] Install Wien2k using oneAPI

Re: [Wien] Install Wien2k using oneAPI

[Wien] Install Wien2k using oneAPI

Re: [Wien] Install Wien2k using oneAPI

Re: [Wien] Install Wien2k using oneAPI

Re: [Wien] Install Wien2k using oneAPI

[Wien] Install Wien2k using oneAPI

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