[Wien] Benchmark

[Michael Gurnett]

Yes. using a both processors by spreading k points over them basically 
doubles the speed (and this is also the more typical setup we use). What I 
really want to do is just get an idea how fast this system is on the test 
case, which means most likely mpi, which I believe is just not that good. It 
would be nice if mkl would use both processors. I will be setting up mpi for 
lapw0 (tried long ago but never got it working). So if someone has a 
"Getting intel mpi to work with ifort for dummies" book I would be most 
greatful.

Michael
----- Original Message ----- 
From: <lombaeb at science.unisa.ac.za>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Wednesday, November 16, 2005 7:13 PM
Subject: Re: [Wien] Benchmark


> 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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>>
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