[Wien] compile with ifort9 + mkl8 on W2K_06

[XU ZUO]

You may want to try -ipo -axP -xP -O3. This combination is recommended by
AMD for their Opterons. It should also work for other two core processors,
such as Pentium D.

-----Original Message-----
From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of
hiromasa_kaibe at komatsu.co.jp
Sent: Monday, August 07, 2006 4:22 PM
To: wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] compile with ifort9 + mkl8 on W2K_06

Dear WIEN2K users,

 I am trying to set up a linux machine for W2K_06 as below. So far, it seems
to work.
If it helps somebody as one information, I am very happy about it.

Memory: PC4200 JEDEC Buffalo D2U533BK-1GB x 4 (totally 4GB) Mother board:
ASUS P5LD2-VM
            LGA775, chipset 945G, FSB1066, DDR2, VGA integrated, PCI express
x 16
CPU: Pentium D
      LGA775, 820 2MB L2 cash, Intel EM64T Hard Disk: Seagate 250Gbyte
ST-3250824AS CFD (serial ATA) Optical drive: LITEON 16x DVD writer
SHM-165P6S10C
LAN: Corega PCI 100M/10M CG-LAPCITX

Installed WIEN2K_06, ifort 9.0 and mkl 8.0.2 on SUSE Linux 10.0.
Compile options are ;

> Current settings:
>      O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML
>      L   Linker Flags:            $(FOPT) -L/opt/intel/mkl/8.0.2/lib
-lguide
-lpthread
>      P   Preprocessor flags       '-DParallel'
>      R   R_LIB (LAPACK+BLAS):     -L/opt/intel/mkl/8.0.2/lib/em64t
-lmkl_lapack
-lmkl_em64t -lguide

And benchmark is

> hiromasa at linux:~/test_case> x lapw1 -c
>  LAPW1 END
> 189.575u 0.768s 3:10.74 99.7%   0+0k 0+0io 1pf+0w

Any comments from everybody are very helpful. I suppose I can optimise more
Compiler option like -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3
-xP.

Hiromasa Kaibe
Thermoelectric Generator Development Dept., Komatsu Ltd.
1200, Manda, Hiratsuka-shi,
Kanagawa 254-8567, Japan
phone : +81-463-35-9230
fax : +81-463-35-9287
e-mail : hiromasa_kaibe at komatsu.co.jp

_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien