[Wien] "OpenBlas" package instead of default "blas"

[Ashwani Kumar]

Dear Dr. Pavel,
        My comment about thread load: Processor Monitoring shows 12
CPUs (6 CORES, 12 THREADS) , but 1 is only working at a time. When i
start another WIEN2K session (inspite of already running one session),
then 2nd CPU shows working level 100% (2 session, 2 CPUs ). This means
at max. 12 No. of sessions can be run simultaneously if RAM
availability permits.

I was wondering how to utilized the available CPUs for squeeze out
optimum/max performance out of 12 CPUs. (obviously i m not going to
run 12 sessions at a time)

Thanks for briefing about K-point parallelization. I will install
openblas and will try to make k-point parallelization working after
the current research problem.

Thanks and Regards,
A. Kumar

On 11/19/18, Ashwani Kumar <ashwani.ism at gmail.com> wrote:
> Dear Dr. Pavel Ondracka,
>     In previous thread,
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18098.html
>
> you advised to use OpenBlas package to extract best performance from
> processor. Since i was having problem with wien2k installation, so i went
> with Dr. Gavin's set of instructions (for lapack devel package). Now i want
> to speed up the wien2k execution (simple oxides too take much time).
> Further i noted that at a time, only one thread remains 100% busy, rest
> threads shows load level 1-5%.
> Configuration of my pc: i7-8700 (6 cores, 12 threads), 8 gb ram (can be
> upgraded to 16 gb), fedora-28, graphic card (gtx...)
>
> I understand that "openBlas" need to be installed and set R_path to
> -lopenblas. I also want to utilize thread level parallelism if it boosts
> the processor's performance further by a factor of  >= x1.5 times.
>
> Waiting for your expert advise,
>
> thanks,
> A. Kumar
>