[Wien] Intel compilers

[Fecher, Gerhard]

Just a remark,
I found at least 2 problems with the oneAPI
1) it seems to work not always work correctly for AMD processors (I use EPYC) this is different to the Parallel Studio 17
2) the Python version installed with oneAPI causes troubles (segmentation faults)

I would suggest a minimum installation using only the things that are realy needed, as Laurence tells just Fortran and MKL and maybe MPI

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Physics
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Laurence Marks [laurence.marks at gmail.com]
Gesendet: Samstag, 17. Juli 2021 04:06
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] Intel compilers

You want the fortran compiler & mkl. If you have multiple computers you need the parallel libraries. C is optional, nothing in Wien2k really needs it (gcc is fine).

Sounds like you also need more disk! Hard drives are cheap.

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Györgyi
www.numis.northwestern.edu<http://www.numis.northwestern.edu>

On Fri, Jul 16, 2021, 21:00 delamora <delamora at unam.mx<mailto:delamora at unam.mx>> wrote:
Thank you Gavin Abo and Laurence Marks.
It seems that I can download it from Mexico.
Now; I want it for the WIEN2k, so what package I download;
Base Kit or All Kit ?
I supose that the Base Kit would be OK, but then do I need the HCP Kit or the loT Kit of the Render Kit?
I ask because before the oneAPI there was the Parallel Studio that took a lot of memory in the computer.

Saludos

Pablo

________________________________
De: Wien <wien-bounces at zeus.theochem.tuwien.ac.at<mailto:wien-bounces at zeus.theochem.tuwien.ac.at>> en nombre de Laurence Marks <laurence.marks at gmail.com<mailto:laurence.marks at gmail.com>>
Enviado: viernes, 16 de julio de 2021 08:28 p. m.
Para: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at<mailto:wien at zeus.theochem.tuwien.ac.at>>
Asunto: Re: [Wien] Intel compilers

Note: this is for the US, probably not for every country.

---
Prof Laurence Marks
"Research is to see what everyone else has seen, and to think what nobody else has thought", Albert Szent-Györgyi
www.numis.northwestern.edu<http://www.numis.northwestern.edu>

On Fri, Jul 16, 2021, 20:24 Gavin Abo <gabo13279 at gmail.com<mailto:gabo13279 at gmail.com>> wrote:

The Intel compilers (e.g., C++ and Fortran) currently seem to be free for everyone with oneAPI without Priority Support from Intel as seen at:

https://software.intel.com/content/www/us/en/develop/articles/free-intel-software-developer-tools.html<https://urldefense.com/v3/__https://software.intel.com/content/www/us/en/develop/articles/free-intel-software-developer-tools.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!BE815WRgDxTHbLBQEba9pFnKi7uazdHVymBvAltAP4QMMloTB75ba_nEMROoxaYNBroi3Q$>

If you need the Priority Support from Intel, you have to buy that.  Though, you could use the free 'Community Support' instead the 'Priority Support' as seen at:

https://www.scivision.dev/intel-oneapi-fortran-install/<https://urldefense.com/v3/__https://www.scivision.dev/intel-oneapi-fortran-install/__;!!Dq0X2DkFhyF93HkjWTBQKhk!BE815WRgDxTHbLBQEba9pFnKi7uazdHVymBvAltAP4QMMloTB75ba_nEMROoxaY3yW43-g$>
https://software.intel.com/content/www/us/en/develop/tools/oneapi/support.html<https://urldefense.com/v3/__https://software.intel.com/content/www/us/en/develop/tools/oneapi/support.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!BE815WRgDxTHbLBQEba9pFnKi7uazdHVymBvAltAP4QMMloTB75ba_nEMROoxaYq4nh_Uw$>

On 7/16/2021 5:28 PM, delamora wrote:
Dear WIEN community;
Are there free intel compilers for academic use?

Thanks

Pablo
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