[Wien] Compilation options for Intel EM64T

[Michael Gurnett]

I have just installed Wien2k on our dual core 2.8 Ghz, using ifort 9 and 
cluster mkl 8.0 on CentOS 4. The time I obtained for the test_case was 192 s 
(3:12). This was using the same setup as you. Are you sure you didn't obtain 
3:19 and not 319. Otherwise I don't know why you would be running so slow. I 
am quit happy with my times, but if anyone has some hinta on how to further 
improve speed to take advantage of the dual core I would be greatful.  I am 
know planning on overclocking from 2.8 to around 4 Ghz. See what times I can 
get out.

Michael

----- Original Message ----- 
From: "Juan José Torres" <jjt_6803 at yahoo.com.mx>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Thursday, November 03, 2005 8:53 PM
Subject: [Wien] Compilation options for Intel EM64T


Dear WIEN users,

I have installed the package (WIEN2k_5.6) on a PIV 3.6
GHz EM64T (MB: D925XECV2) with 2 Gb RAM, ifort 9.0 and
mkl 7.2 with the options

Current settings:
O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad
                    -ip -DINTEL_VML
L Linker Flags:-L/opt/intel/mkl72/lib/em64t -Vaxlib
               -static-libcxa -pthread
P Preprocessor flags: '-DParallel'
R R_LIB (LAPACK+BLAS): -lmkl_lapack -lmkl_em64t
                        -lguide

the benchmark time is 319 sec.

Do you know which the best options are to optimize the
WIEN code ?

Best,

JJ Torres

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