[Wien] more on pathscale and ifort64 : ACML

[stargmoon]

Dear Stefaan,

Thanks a lot! I had tried to compile WIEN2k on our
machines with pathscaler compiler plus acml 2.6 (it
was claimed that scalapck and blacs are built in). For
the single mode, the compilation went smoothly.
However, for parallel mode, some undefined references
were found.

What is your libg2c? I mean the its function. why do
you need it?

One more stupid question, does "pgf90 + libmpi" have
the same function as "mpif90" does?

Best,

Stargmoon

--- Stefaan Cottenier
<Stefaan.Cottenier at fys.kuleuven.be> wrote:

> 
> To Stargmoon and others interested: benchmarks for
> the acml library, 
> using both ifort64 and pathscale as compilers. Tests
> have run on an 
> identical machine as in the previous mail, where
> ifort64+goto got 215 s.
> 
> pathscale and acml 2.1
> ===============
> test_case : *segmentation fault* in lapw1c (real
> case might work, didn't 
> test)
> 
>      O   Compiler options:        -freeform
> -march=opteron -mcpu=opteron 
> -mtune=opteron -w -IPA
>      L   Linker Flags:           
> -L/apps/prod/math-lib/acml/gnu64/lib 
> -L/usr/lib64 -L../SRC_lib -pthread -Wl,-rpath 
> /apps/prod/math-lib/acml/gnu64/lib -Wl,-rpath
> /usr/lib64 -IPA -static
>      P   Preprocessor flags       '-DParallel'
>      R   R_LIB (LAPACK+BLAS):     -lacml
> -llapack_lapw -lg2c -lacml 
> -llapack_lapw -lg2c
> 
> Same general comments as for previous tests apply.
> /usr/lib64 was the 
> place were g2c was located on our system. For some
> reason I could not 
> get it run with dynamic libraries (probably trivial
> to solve), such that 
> static linking was used. Although compilation went
> smoothly, a 
> segmentation fault occurs when running the
> bench_mark (lapw1c). The same 
> happened for pathscale with the goto and atlas
> libraries, only mkl works 
> for me with pathscale (but with a bad timing). It
> would be interesting 
> if somebody with debugging skills takes a look at
> this, because with 3 
> failures out of 4 cases, I get suspicious pathscale
> reveals some bug in 
> lapw1c which the other compilers miss.
> 
> ifort64 and acml 2.1
> ==============
> test_case: 280 s
> 
>      O   Compiler options:        -FR -mp1 -w
> -prec_div -pc80 -pad -ip 
> -DINTEL_VML
>      L   Linker Flags:           
> -L/apps/prod/math-lib/acml/gnu64/lib 
> -L/apps/prod/math-lib/mkl72/lib/em64t -L/usr/lib64
> -L../SRC_lib -pthread 
> -Wl,-rpath /apps/prod/math-lib/acml/gnu64/lib
> -Wl,-rpath /usr/lib64 
> -Wl,-rpath /apps/prod/math-lib/mkl72/lib/em64t
>      P   Preprocessor flags       '-DParallel'
>      R   R_LIB (LAPACK+BLAS):     -lacml
> -llapack_lapw -lg2c -lvml 
> -lacml -llapack_lapw -lg2c -lvml
> 
> It turned out I had to link with vml (apparantly
> part of mkl), in order 
> to compile lapw1 completely. If not, 3 routines in
> hamilt.f were not 
> recognized. The 280 s for the benchmark make acml
> the second-best 
> library for ifort64, after goto but before atlas and
> mkl.
> 
> Stefaan
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
>
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 


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