[Wien] (no subject)

Gerhard H Fecher fecher at uni-mainz.de
Tue Apr 4 13:24:01 CEST 2006


/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. 


More information about the Wien mailing list