[Wien] Benchmark

Thu Nov 17 20:23:41 CET 2005

Michael,

OptimaNumerics Libraries can take advantage of multiple CPUs present
on the system, and have been tested on systems including SGI Altix
servers and Bull NovaScale servers.  

Let me know if you would like to try OptimaNumerics Libraries on your
systems.  

Best wishes,
Ken
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C J Kenneth Tan, PhD
OptimaNumerics Ltd                    Telephone: +44 798 941 7838
E-mail: cjtan at OptimaNumerics.com      Telephone: +44 871 504 3328
Web: http://www.OptimaNumerics.com    Facsimile: +44 207 100 4572
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On 2005-11-17 20:07 +0100 Michael Gurnett (michael.gurnett at kau.se) wrote:

> Date: Thu, 17 Nov 2005 20:07:23 +0100
> From: Michael Gurnett <michael.gurnett at kau.se>
> Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> Subject: Re: [Wien] Benchmark
> 
> 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
> > > 
> > > 
> > > _______________________________________________
> > > Wien mailing list
> > > Wien at zeus.theochem.tuwien.ac.at
> > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > > 
> > 
> > _______________________________________________
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> > Wien at zeus.theochem.tuwien.ac.at
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> > 
> > 
> 
> 
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