[Wien] Strange benchmark results

[Peter Blaha]

I rerun the benchmark at our i7 (with ifort 11.0 )
The current values are 91 / 57 / 40 sec for 1/2/4 threads.

I don't know about the i5, nor about the ifort 11.1 performance.

The benchmark page says that NMAT is 3481. This does NOT mean you should set
NMATMAX to that value. This is the max matrix size for a "real" case.
Thus for the complex benchmark this reduces the matrix size by sqrt(2)
and of course this small matrix is much faster.

Please recheck your results (in particular compare the eigenvalues in the output file).

Àî½ðÚS schrieb:
> Dear WIEN users:
>   I get some strange benchmark results with a new computer (Intel Core 
> i5 750 2.67GHz, 8 GB DDR3 1333 RAM) in our lab. I installed WIEN2k_09.1 
> with ifort 11.1 and mkl 10.0, set NMATMAX=20000 and  OMP_NUM_THREADS=1, 
> ran serial benchmark and the result is "80.522u 0.724s 1:21.26 99.9%", 
> faster than the results of i7-920 is 99 seconds(NMAT=3481,1 thread) on 
> the benchmark page. When I set NMATMAX=3481 on my computer and recompile 
> lapw1, the result is "32.006u 0.513s 0:32.65 99.5%" with 
> OMP_NUM_THREADS=1, and "34.578u 1.179s 0:20.16 177.2%" with 
> OMP_NUM_THREADS=2, and "44.262u 1.281s 0:15.50 293.8%" with 
> OMP_NUM_THREADS=4. I can't understand how could i5-750 run so fast. My 
> compile options are:
>  
> FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback
> FPOPT:$(FOPT)
> LDFLAGS:$(FOPT) -L/opt/intel/mkl/10.0.5.025/lib/em64t -pthread
> DPARALLEL:'-DParallel'
> R_LIBS:-lmkl_lapack -lmkl -liomp5
> RP_LIBS:-lmkl -lmkl_lapack -lmkl_intel_lp64 -lmkl_scalapack_lp64 
> -lmkl_blacs_lp64 -lmkl_sequential -lguide -L /opt/local/fftw/lib/ 
> -lfftw_mpi -lfftw
>  
>   In additional, I get a serial benchmark result on another 
> computer(Intel Core2 Q9400 2.67GHz, 8 GB DDR2 800 RAM) is 125 seconds 
> with OMP_NUM_THREADS=1, NMATMAX=13000, ifort 9.1 and mkl 10.0
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-----------------------------------------