[Wien] Wien2k benchmark.

[Peter Blaha]

>          We have run one test on different platforms using various
> compilers and libraries. The result is in seconds and represents the CPU
> time taken by lapw1c to calculate one k-point for the test case.
>
> Compaq-Alpha 666                1092 sec        Dec compiler
> G4                              4877 sec        /-O Absoft compiler
> G5(dual CPU64bits 2GHz) 690 sec         Absoft/-O
> G5                              350 sec         /xlf compiler  /G5 64bits
> libraries /-O5 -qhot -arch=g5
> Athlon XP3000+ (2.17 GHz)       1444 sec        (PGI, PGI compiled LAPACK
> and BLAS)
> Athlon XP3000+ (2.17 GHz)       705 sec         ifc, mkl
> Athlon XP3000+ (2.17 GHz)       541 sec         ifc, ifc compiled LAPACK,
> Athlon ATLAS)
> Athlon XP3000+ (2.17 GHz)       515 sec         (PGI, PGI compiled LAPACK,
> Athlon ATLAS)
>
> As you can see an optimized library for a specific processor is a very
> important factor.
> We would like to run the same test on an AMD Opteron machine. If some of
> you have such a machine
> I would be very grateful if you allow me to run a short test.

I do not have an AMD Opteron, but when you send me (to my private email)
case.struct, vsp,vns,in1c and klist     I can make a test on
Intel P4 (2.6 and 3GHz) with dual memory bus, ifc+mkl.
I expect the P4s to be faster than AMDs.

                                      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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