[Wien] ifort (ifc) 8.0 and mkl 6.1

[Pablo de la Mora]

Dear Wien users,
    I compiled the WIEN2k program for a pentium 3 with ifc with the lapw 
BLAS and everything was OK.
    I tried the ATLAS with the options that Dariusz Chrobak gives 
(bottom) except for the '-lg2c':

     O   Compiler options:        -FR -mp -w
     L   Linker Flags:            -L../SRC_lib 
-L/home/Programas/paquetes/BLAS/ATLAS-lib -Vaxlib -static
     P   Preprocessor flags       '-DParallel'
     R   R_LIB (LAPACK+BLAS):     -llapack_lapw -lf77blas -latlas 
-lguide -lpthread

and I get silly errors in lapw2, lapwdm and qtl:

/home/Programas/paquetes/BLAS/ATLAS-lib/libf77blas.a(xerbla.o): In 
function `xerbla_':
xerbla.o(.text+0x9): undefined reference to `s_wsfe'
xerbla.o(.text+0x1c): undefined reference to `do_fio'
xerbla.o(.text+0x2f): undefined reference to `do_fio'
xerbla.o(.text+0x34): undefined reference to `e_wsfe'
make[1]: *** [lapw2] Error 1
make[1]: Leaving directory 
`/home/Programas/WIEN2k/WIEN2k_04-atlas/SRC_lapw2'
make: *** [real] Error 2

what is surprising is that these programs (lapw2, lapwdm and qtl) do not 
seem to call 'xerbla'.
    If I put the '-lg2c' option the compiler does not find it (libg2c.a).

    Other comments, I tried the 'libgoto_p3_512p-r0.94.so' with

     O   Compiler options:        -FR -mp -w
     L   Linker Flags:            -L../SRC_lib 
-L/home/Programas/paquetes/BLAS/libgoto -Vaxlib -static
     P   Preprocessor flags       '-DParallel'
     R   R_LIB (LAPACK+BLAS):     
/home/Programas/paquetes/BLAS/libgoto/libgoto_p3_512p-r0.94.so -llapack_lapw

and I get even more errors.

    Finaly I want to comment what others have already said; that the 
intel mkl does not seem to be free except for evaluation purposes.

    Does anyone have any comments?

        Thank you

                Pablo de la Mora


> Hi,
> You can use atlas3.4.1_Linux_P4SSE2.tar.gz library 
> (http://math-atlas.sourceforge.net/) instead MKL one.
> My operating system is Linux Mandrake 10. In this case the compiler 
> (ifort) settings should be as follows:
>
> O   Compiler options:        -FR -mp -w
> L   Linker Flags:            -L../SRC_lib -L/opt/path-to-atlas/lib 
> -Vaxlib -static
> P   Preprocessor flags       '-DParallel'
> R   R_LIB (LAPACK+BLAS):     -llapack_lpw -lf77blas -latlas -lguide 
> -lpthread -lg2c
>
> The las flag -lg2c shows that you should use libg2c.a library.
>
> Moreover, I'm using bash command:
>
> ulimit -s unlimited
>
> to increase stack size.
>
> Best regards Dariusz Chrobak