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....@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 > _______________________________________________ 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