thanks Dr. Pavel, I have installed "openblas" package, changed R_lib path to "-lopenblas". Also utilizing K-poing parallelization. I didn't use "-ftree vectorize " option as i do not know how to do it. Overall satisfied with the system's performance. Thanks for the support.
Regards, A. Kumar ---------- Forwarded message --------- From: Ashwani Kumar <ashwani....@gmail.com> Date: Mon, Nov 19, 2018 at 11:54 PM Subject: "OpenBlas" package instead of default "blas" To: <wien@zeus.theochem.tuwien.ac.at> 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
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