[Wien] Benchmark

[lombaeb at science.unisa.ac.za]

Dear Wien users

On an x86_64 machine with a 3.2 GHz (P4-640) CPU I got the following 
benchmark times, using ifort 9.0 and mkl 8.0 (OPTIONS used are given at 
the end of the e-mail) on a system with an Intel motherboard (945G 
chipset) and DDR-II 533MHz RAM (dual channel configuration).

HT disabled:  163s
HT enabled:  176s
HT enabled, with OMP_NUM_THREADS = 2:  194s
HT enabled, 2 k-points in parallel: 386 s  (DIV 2 = 193s) (x lapw1 -c 
-p)


To Michael:
It may be possible to speed up the .throughput. time on a dual core 
machine by using .normal. MKL and running 2 k-points simultaneously 
(using .machines).  The time for 1 k-point may be slower, but the time 
for 2 k-points in parallel will probably be faster.



OPTIONS used (thanks to Gerhard Fecher for the useful e-mail about 
compiling Wien2k with ifort 9.0 at the end of August):

current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -xP
current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
current:LDFLAGS:-L/opt/intel/fce/9.0/lib -L/opt/intel/mkl/8.0/lib/em64t -lsvml
current:DPARALLEL:'-DParallel'
current:R_LIBS:-lmkl_lapack -lmkl_em64t -lguide -lguide_stats -lpthread
current:RP_LIBS:-L /usr/local/SCALAPACK -L /usr/local/BLACS/LIB -lpblas 
-lredist -ltools -lscalapack -lfblacs -lblacs .lmpi

Notes: 
1.  The speed difference between the new GOTO 1.00 library and MKL 
8.0 was negligible.
2.  Omitting the -xP option for ifort (P4 only) slows down the 
calculations by about 4s (there is a change of +- 1 in the last 
significant digit of the output of lapw1 if -xP is included).
3.  The paths to the compiler and mkl libraries will be installation 
dependent.
4.  These paths must also be included in .bashrc (or .cshrc) in the 
LD_LIBRARY_PATH environment variable.

Regards,

Enrico




On Mon, 
14 Nov 2005, 
Michael Gurnett wrote:

> 
> PIV dual-core 820 at 3.3 Ghz ifort 9 and libgoto_prescott64p-r1.00
> 
> 171 seconds
> 
> 
> The compiler options used were as follows:
> 
> current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
> current:LDFLAGS:-L/opt -L/opt/intel/cmkl/8.0/lib/em64t -Vaxlib
> -static-libcxa -pthread
> current:DPARALLEL:'-DParallel'
> current:R_LIBS:-lgoto_prescott64p-r1.00 -lmkl_lapack64 -lmkl_em64t -lguide
> 
> 
> If anyone has some recommendations to increase speed I would appreciate it
> 
> Michael 
> 
> 
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