I installed OneAPI (ifort 2021.9.0) on a computer today. With it, I was
able to compile and link without any build errors a fresh install of
WIEN2k 23.2 in Ubuntu 22.04.2 LTS.
The installation seemed simpler with OneAPI as it took me 11 steps
instead of the 14 it took me with gfortran.
Should it be of interest to anyone installing the 23.2 version of WIEN2k
with OneAPI, the PDF in which I recorded the steps should be at:
https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_OneAPI(ifort).pdf
If interested in knowing the installation differences between OneAPI and
gfortran, you may compare the OneAPI steps with those for gfortran. The
link to gfortran PDF is in the past post at:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22450.html
Kind Regards,
Gavin
WIEN2k user
On 5/29/2023 11:59 AM, Gavin Abo wrote:
OneAPI likely can still be installed following the post at:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg21942.html
Looks like someone made a WIEN2k 23.2 install YouTube video here:
https://youtu.be/_Gms-iie3Jo
Since there is too many remote access (ssh, VPN) programs, I cannot
help with that as usage of each of them are different. I suggest you
talk to your IT department at your organization as each organization
usually should have webpages with usage information, program
documentation for the particular cluster computer being used, and/or a
help desk that assists with usage.
Kind Regards,
Gavin
WIEN2k user
On 5/29/2023 4:09 AM, Burhan Ahmed wrote:
Dear experts, I am having a compact cluster with 100gb RAM, 36 cores
and 12 TB SATA hard disk. I want to install wien2k_23.1 version in my
system with intel oneapi compiler, such that I can do the parallel
calculation and also can do the remote access from outside the lab.
Is there any installation tutorial available ( video will be helpful)
apart from the wien2k user guide one.
Regards
Burhan Ahmed
*Research Scholar, AUS *
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