AW: [Wien] help on computer for WIEN2k calculation
Gerhard Fecher
fecher at uni-mainz.de
Tue Dec 20 19:21:17 CET 2005
We use the PG compiler on an Opteron cluster and this has a very bad performance to cost relation, comparing to the combination Intel compiler on a Dual-Xeon machine. (600s single Opteron with pgf90, 155s single Xeon with ifort, for the Wien benchmark)
However, for some more benchmarks see
http://www.spec.org/cpu2000/results/cfp2000.html
for performance
and
http://www.spec.org/cpu2000/results/rfp2000.html
for throughput
Why naughty Intel ?
Their compiler (+ mkl) comes for free but the programms run on Intel processors much faster compared to a compilation using the PG compiler (+ blas lapack, also on Intel processors) that costs some money ?
I think its legitim that Intels free compiler and mkl support their own processors first. It seems that blas and lapack provided bei AMD are not much better then a self optimised atlas library, so one should ask first AMD why they do not give a better support, ask them where to find a free AMD fortran compiler and mkl for AMD processors !
Ciao
Gerhard
-----Ursprüngliche Nachricht-----
Von: wien-bounces at zeus.theochem.tuwien.ac.at im Auftrag von Martin Kroeker
Gesendet: Di 20.12.2005 16:33
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] help on computer for WIEN2k calculation
>an Intel cpu is significantly faster than AMD (160 vs 260 seconds, see
>benchmarks) !!
I would appreciate if anybody with current AMD processors _and_ compiler
version could contribute benchmarks to the list - a lot of the present
entries are for old or unspecified versions of ifc, and furthermore ifc
seems to need some "help" to make full use of non-intel cpus, see
http://www.swallowtail.org/naughty-intel.html
Martin
--
Dr. Martin Kroeker martin at ruby.chemie.uni-freiburg.de
c/o Prof.Dr. Caroline Roehr
Institut fuer Anorganische und Analytische Chemie der Universitaet Freiburg
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