[Wien] more on pathscale and ifort64
stargmoon
stargmoon at yahoo.com
Wed Aug 10 23:25:38 CEST 2005
Thanks Stefaan for providing your recent tests here. I
am not good at computer. I even don't know when I run
the siteconfig_lapw, at the first step which system I
should specify for my machine. Now my machine type is
"x86_64-redhat-linux-gnu" the compiler I have is
pathscale with library acml (AMD core mathematic
library) version 2.6, the scalapack is already builted
in this library.
Could you please tell me for my system, which one I
should specify? From the list of your tests, it seems
that you didn't test the case with library acml, am I
right?
Looking forward to your reply!
Best,
Stargmoon
--- Stefaan Cottenier
<Stefaan.Cottenier at fys.kuleuven.be> wrote:
>
> Following recent questions and comments about
> compiling wien2k on
> Opteron, I add some results from recent tests with
> pathscale and ifort64
> compilers. Do not consider these as final yet, I
> guess there is some
> room for optimization still. And maybe some choices
> are redundant. The
> only thing I can guarantee is that the listed
> options work for us. From
> the cases that did work, ifort64+goto is clearly the
> fastest one with
> 215 s for the test_case.
>
> I am highly interested to see more reports on this
> issue, as well as
> suggestions for improvements. Did anyone try yet how
> 32-bit compiled
> wien2k runs on Opteron? And could somebody get the
> goto-lib to work with
> pathscale ?
>
> system: MACHTYPE = x86_64-pc-linux-gnu (dual-cpu
> Opteron, 2.4 GHz, 2 Gb
> RAM)
>
> pathscale 2.1 (pathf90) + mkl 7.2
> =======================
>
> timing for test_case: 365 s
>
> O Compiler options: -freeform
> -march=opteron -mcpu=opteron
> -mtune=opteron -w
> L Linker Flags:
> -L/apps/prod/math-lib/mkl72/lib/em64t
> -L../SRC_lib -L/lib64 -pthread -Wl,-rpath
> /apps/prod/math-lib/mkl72/lib/em64t
> P Preprocessor flags '-DParallel'
> R R_LIB (LAPACK+BLAS): -lmkl -lmkl_lapack
> -lvml
>
> (the lib64 might not be explicitely needed,
> depending on how your system
> is configured. The -Wl,-rpath etc. is to enable
> execution after dynamic
> linking on a cluster, probably not needed for a
> stand-alone machine).
>
> ifort64 + mkl 7.2
> ============
>
> timing for test_case: 366 s
>
> O Compiler options: -FR -mp1 -w
> -prec_div -pc80 -pad -ip
> -DINTEL_VML
> L Linker Flags:
> -L/apps/prod/math-lib/mkl72/lib/em64t
> -L../SRC_lib -L/lib64 -pthread -Wl,-rpath
> /apps/prod/math-lib/mkl72/lib/em64t -Wl,-rpath
> /lib64
> P Preprocessor flags '-DParallel'
> R R_LIB (LAPACK+BLAS): -lmkl -lmkl_lapack
> -lvml
>
> pathscale 2.1 + goto
> ==============
>
> (no timing available as this gives a segmentation
> fault in the test_case
> (x lapw1 -c). Real version runs without problems)
>
> O Compiler options: -freeform
> -march=opteron -mcpu=opteron
> -mtune=opteron -w
> L Linker Flags:
> -L/apps/prod/math-lib/goto
> -L../SRC_lib -pthread -Wl,-rpath
> /apps/prod/math-lib/goto
> P Preprocessor flags '-DParallel'
> R R_LIB (LAPACK+BLAS):
> -lgoto_opt64-r0.96-2 -llapack_lapw
>
> ifort64 + goto
> =========
>
> timing for test_case: 215 s (the fastest of this
> series)
>
> O Compiler options: -FR -mp1 -w
> -prec_div -pc80 -pad -ip
> -DINTEL_VML
> L Linker Flags:
> -L/apps/prod/math-lib/goto
> -L/apps/prod/math-lib/mkl72/lib/em64t -L/lib64
> -L../SRC_lib -pthread
> -Wl,-rpath /apps/prod/math-lib/goto -Wl,-rpath
> /apps/prod/math-lib/mkl72/lib/em64t -Wl,-rpath
> /lib64
> P Preprocessor flags '-DParallel'
> R R_LIB (LAPACK+BLAS):
> -lgoto_opt64-r0.96-2 -llapack_lapw -lvml
>
> pathscale 2.1 + atlas
> ==============
>
> (no timing available as this gives a segmentation
> fault in the test_case
> (x lapw1 -c). Not tested yet whether real version
> runs.)
>
> O Compiler options: -freeform
> -march=opteron -mcpu=opteron
> -mtune=opteron -w
> L Linker Flags:
> -L/apps/prod/math-lib/atlas/Linux_HAMMER64SSE2_2/lib
>
> -L/apps/prod/math-lib/mkl72/lib/em64t -L../SRC_lib
> -L/lib64 -Wl,-rpath
> /apps/prod/math-lib/atlas/Linux_HAMMER64SSE2_2/lib
> -Wl,-rpath
> /apps/prod/math-lib/mkl72/lib/em64t -Wl,-rpath
> /lib64
> P Preprocessor flags '-DParallel'
> R R_LIB (LAPACK+BLAS): -llapack_lapw
> -lf77blas -latlas
> -lguide -lpthread -lvml
>
> ifort64 + atlas
> ==========
>
> timing for test_case: 270 s
>
> O Compiler options: -FR -mp1 -w
> -prec_div -pc80 -pad -ip
> -DINTEL_VML
> L Linker Flags:
> -L/apps/prod/math-lib/atlas/Linux_HAMMER64SSE2_2/lib
>
> -L/apps/prod/math-lib/mkl72/lib/em64t -L../SRC_lib
> -L/lib64 -Wl,-rpath
> /apps/prod/math-lib/atlas/Linux_HAMMER64SSE2_2/lib
> -Wl,-rpath
> /apps/prod/math-lib/mkl72/lib/em64t -Wl,-rpath
> /lib64
> P Preprocessor flags '-DParallel'
> R R_LIB (LAPACK+BLAS): -llapack_lapw
> -lf77blas -latlas
> -lguide -lpthread -lvml
>
> pathscale 2.1 + mkl : additional optimization (-IPA)
> ==================================
>
> timing for test_case: 360 s
>
> O Compiler options: -freeform
> -march=opteron -mcpu=opteron
> -mtune=opteron -w -IPA
> L Linker Flags:
> -L/apps/prod/math-lib/mkl72/lib/em64t
> -L../SRC_lib -L/lib64 -pthread -Wl,-rpath
> /apps/prod/math-lib/mkl72/lib/em64t -IPA
> P Preprocessor flags '-DParallel'
> R R_LIB (LAPACK+BLAS): -lmkl -lmkl_lapack
> -lvml -lmkl
> -lmkl_lapack -lvml
>
> Note that the -IPA option is present both for
> compiler and linker, and
> that the libraries are specified twice. Both are
> necessary.
>
> pathscale 2.1 + mkl : additional optimization
> (-Ofast)
> ===================================
>
> timing for test_case: 355 s
>
> O Compiler options: -freeform
> -march=opteron -mcpu=opteron
> -mtune=opteron -w -Ofast
> L Linker Flags:
> -L/apps/prod/math-lib/mkl72/lib/em64t
> -L../SRC_lib -L/lib64 -pthread -Wl,-rpath
> /apps/prod/math-lib/mkl72/lib/em64t -IPA
> P Preprocessor flags '-DParallel'
> R R_LIB (LAPACK+BLAS): -lmkl -lmkl_lapack
> -lvml -lmkl
> -lmkl_lapack -lvml
>
> This is a more agressive optimization, potentially
> harmful for accuracy.
>
> ---------------
> Stefaan
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
>
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
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