[Wien] (no subject)

[Michael Gurnett]

is this also a typo?

-L/opt/intel/mkl/9.0/lib/

Michael

-----Original Message-----
From: Gerhard H Fecher <fecher at uni-mainz.de>
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Date: Tue, 4 Apr 2006 13:24:01 +0200
Subject: Re: [Wien] (no subject)

> /lib.em64t : is that a typo ?
> the path to mkl  should be  /lib/em64t
> 
> I use otherwise the same options like you give below on a Dual Xeon
> machine 
> and it works fine (only other difference : I use -xP instead of -axP).
> 
> Probaly you have to set OMP_NUMTHREADS=2 (see Intel manual) to tell mkl
> it 
> should use two threads.
> Parts that do not use mkl will use only one processor. To use both
> processors 
> you have to use the compiler option for parallel compilation, however,
> I 
> never checked if that improves speed.
> 
> If you like to run two Wien jops in parallel on a Dual Xeon machine,
> then 
> OMP_NUMTHREADS=1 may be faster, depending on the problem. That means
> two 
> identical lapw1 runs (Peters test case) are faster in parallel with 1
> thread 
> each than two sequential runs with 2 threads each.
> Principally you may use on a DUAL Xeon 4 threads what will make use of
> the 
> hyperthreading (2 real times two virtual processores), however, it will
> not 
> increase speed.
> 
> Am Dienstag, 4. April 2006 13:25 schrieb 白宇:
> > Dear users:
> > 
> >   I am running wien2K(2005) on a machine with two Intel Xeon chips
> and with 
> operating system Fedora Core 4, fortran compiler Intel_fc_9.0 and math
> > libraries Intel MKL 8.0.2.
> >   
> >   Some of my siteconfig_lapw settings are listed below:
> >    Current system is:generic
> >    Fortran compiler:ifort
> >    c compiler:cc
> >    Compiler options:-FR -w -mpl -prec_div -pad -ip -DINTEL_VML -O3
> -axP
> >    Linker flag:-L/opt/intel/mkl/9.0/lib/ -i-static -lguide_stats
> -lsvml 
> -lpthread
> >    Preprocessor flags:'DParallel'
> >    R_LIB:-L/opt/intel/mkl/8.0.2/lib.em64t -lmkl_lapack -lmkl_em64t 
> -lguide 
> -lpthread
> >    
> >    My compile problem is that when compiling some program such as 
> lapw1,lapw2,etc, there are always mistakes that saying libmkl_lapack.a
> and 
> libmkl_em64t.a are not read symbols.How can I solve this problem.
> > 
> >    Actually, when I use the lib 32 of Intel MKL instead of em64t lib,
> I can 
> also comiple the program. However, when I doing caculation, my computer
> only 
> use half of its power, when one cpu is running, the other is idle, they
> hardly work together. I think it is beccause I have no use the right
> library 
> during compiling the WIEN. What's your opinion?
> > 
> >    Thank you. 
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