[Wien] ifort (ifc) 8.0 and mkl 6.1

[Dariusz Chrobak]

Uz.ytkownik Pablo de la Mora napisa?:

> 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 
>
>
>
>
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>
>
Hi,
You should move libg2c.a library (or make link) to directly accessible 
(stored in PATH variable) directory, e.g. /usr//lib.
If you do not have libg2c.a you should install package gcc-g77 (support 
for Fortran77 language).

Best regards
Dariusz Chrobak