[Wien] WIEN2k

[Peter Blaha]

Just a quick info: In case you want to buy new hardware, make sure you buy
something with Intels core i7 ("Nehalem") cpus.
Even the "slowest" i7-cpu runs 4 k-parallel lapw1 benchmarks
in 104 sec each (just 4 seconds slower than a single k-point on one core); or
using OMP_NUM_THREAD = 4 it comes down to less than 45 seconds!!!
(See our benchmark-page ...)

PS: Anybody with experience with OPENMP ?
SRC_lapw1/hamilt.F would need some OMP-parallelization.

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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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