<br>
For information;<br>
<br>
I compiled W2K as Cesar Clazo did'it (ifort9.0 +mkl8.0, libgoto_itanium2_64p-r1.00)<br>
<br>
Results for the benchmark in a ALTIX Itanium2 @ 1.5 GHz with 4 MB in L3 are ;<br>
<br>
********************************************************<br>
<br>
NUMBER OF K-POINTS: 1<br>
===> TOTAL CPU
TIME: 1734.1 (INIT = 21.3 +
K-POINTS = 1712.9)<br>
> SUM OF WALL CLOCK TIMES: 169.8
(INIT = 2.2 + K-POINTS
= 167.6)<br>
Maximum WALL clock time: 169.997846841812 <br>
Maximum CPU time: 1734.78000000000 <br>
<br>
<br>best regards<br>
<br>
Dr. Emilio Orgaz<br>
Departamento de Física y Química Teórica<br>
Facultad de Química, UNAM<br>
<a href="mailto:Emilio.Orgaz@gmail.com">Emilio.Orgaz@gmail.com</a><br>
<br><br><div><span class="gmail_quote">On 6/9/06, <b class="gmail_sendername">Clazo Clazo</b> <<a href="mailto:clazo36@web.de" target="_blank" onclick="return top.js.OpenExtLink(window,event,this)">clazo36@web.de</a>> wrote:
</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Dear all,<br><br>I
compiled the wien code VERSION_05.6:
20.10.2005 in a SGI Altix 4700 system with Itanium2 Madison
9M Prozessoren (1.66GHz/6MB L3 Cache) , ifort version 9.0 + mkl8.0 +
libgoto_ITANIUM2-r1.00.a, and I carried out the standard
test_case provided in the wien2k web site in order to see how well the
tunning of the compiler and libraries was. I obtained a running time of
160 Sec. The running time for a similar setup reported in the wien2k
Benchmarks site is:<br><br>Itanium2(1.6GHz,SGI Altix 3700) 122 sec ifort9.0 +mkl8.0, libgoto_itanium2_64p-r1.00<br><br>Thus,
faster than the time I got. The compiling options (most of
them are the default options recommended by the siteconfig script) are
the following:<br><br> O Compiler
options: -O3 -tpp2 -ftz
-ip -fno-alias -cm -w -FR -DALTIX -DINTEL_VML<br>
L Linker
Flags: -L../SRC_lib
-Vaxlib<br> P Preprocessor flags '-DParallel'<br> R R_LIB (LAPACK+BLAS): -L/fibus/fs1/16/vt4cl/LIB/GotoBLAS/libgoto_ITANIUM2-r1.00.a -lscs -L/opt/intel/mkl/8.0.2/lib/64/ -lvml<br><br>I downloaded and compiled the last version of GOTO library from the web.
<br><br>Has
somebody having a similar system been able to reproduce the running
time posted in the wien2k Benchmark page (122 sec)? If so, could you
post the options used to compile the code?<br><br>The running time I
get (160 sec) is already good, but I think, if the code is able to run
faster in the computational setup available, I should try to tune the
compiler and libraries in order to get the best possible performance.<br><br>Thank you in advance,<br><br><br>Cesar Lazo<br>Technische Universität Hamburg-Harburg<br><br><br><br><br><br><br>_____________________________________________________________________
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http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br></blockquote></div><br><br clear="all"><br>-- <br>Dr. Emilio Orgaz<br>Departamento de Física y Química Teórica<br>Facultad de Química, UNAM<br><a href="mailto:Emilio.Orgaz@gmail.com" target="_blank" onclick="return top.js.OpenExtLink(window,event,this)">
Emilio.Orgaz@gmail.com</a><br>Tel. 5622-3776 <br>Fax. 5622-3521