Students, Classroom Educators (Professors), and Open-Source Contributors
might be able to get a free license for some Intel tools:
https://software.intel.com/en-us/parallel-studio-xe/choose-download
For WIEN2k, I believe commercial researchers have to buy a commercial
license. Professors doing research are paid a salary and student
researchers are paid a stipend or are working on a funded research
project typically, such that they usually have to buy an academic license:
https://software.intel.com/en-us/articles/non-commercial-software-faq
https://software.intel.com/en-us/articles/academic-pricing
The old non-commerical license that was less restrictive on who could
use it or what it could be used for was discontinued:
https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/533638
For WIEN2k 17.1, if you use a ifort/mkl version older than update 2 of
the 2013 composer xe, you need to patch the code to use the
-Dold_scalapack switch:
https://www.mail-archive.com/[email protected]/msg16487.html
However, it is recommend to use a ifort/mkl version newer than that,
which uses the new pzheevr function. This is because there were cases
were the old Scalapack diagonalization failed:
https://www.mail-archive.com/[email protected]/msg16484.html
You probably do NOT want to use the 16.0.3.210 version due to the
serious bug that it has:
https://www.mail-archive.com/[email protected]/msg16520.html
Some, or perhaps all, of the 2016 and 2017 versions are known to be
problematic with large arrays and using -assume nobuffered_io may help
resolve this:
https://www.mail-archive.com/[email protected]/msg16232.html
There are known file IO problems with 2018, but there may be fixes in
the mailings list for that:
https://www.mail-archive.com/[email protected]/msg16589.html
Depending on your Linux operating system version, you might want to
check the Intel Release Notes to determine which version has matching
support with the ifort/mkl version that you are using:
https://software.intel.com/en-us/articles/intel-parallel-studio-xe-release-notes-and-new-features
For example, the 2018 update 1 version of ifort/mkl has "4.3 Operating
System Requirements":
Debian* 8, 9
Fedora* 25, 26
Red Hat Enterprise Linux* 6, 7 (equivalent CentOS versions supported,
but not separately tested)
SUSE Linux Enterprise Server* 11, 12
Ubuntu* 14.04, 16.04, 17.04
macOS* 10.12, 10.13
Sorry, I currently don't know which of the 2016/2017/2018 ifort/mkl
versions are more stable with WIEN2k. So you would have to do your own
testing.
On 11/22/2017 10:14 AM, Luis Ogando wrote:
¡ Gracias Pablo !
I hope do not find any problem with the last version.
Thank you again,
Luis
2017-11-22 15:07 GMT-02:00 delamora <[email protected]
<mailto:[email protected]>>:
Estimado Luis,
You need a recent compiler for the WIEN2k 17.1
As researcher you can get a free licence
NaCl U2
Pablo
------------------------------------------------------------------------
*De:* Wien <[email protected]
<mailto:[email protected]>> en nombre de
Luis Ogando <[email protected] <mailto:[email protected]>>
*Enviado:* miércoles, 22 de noviembre de 2017 05:02:54 a. m.
*Para:* A Mailing list for WIEN2k users
*Asunto:* [Wien] Intel compilers and MPI versions
Dear Wien2k community,
Greetings !
Is there a recommended version of the Intel compilers and MPI
to use with Wien2k ?
Thank you !
Best wishes,
Luis
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