[Wien] ifort (ifc) 8.0 and mkl 6.1

[Pablo de la Mora]

Thanks to Dariusz Chrobak,  Jeff Spirko, Emilo Orgaz and Mahmoud Payami
    I didn't reply earlier since I had other kind of problems, the 
configuration system in my machine has some problems so I had to borrow 
a machine with similar characteristics to compile the WIEN code and with 
your advice I was able to compile the program.
    The parameters I used are:

     O          -FR -mp -w
     L          -L../SRC_lib -L/local/ATLAS_INTEL/lib/Intel -Vaxlib -static
     P          '-DParallel'
     R          -llapack_lapw -lf77blas -latlas -lguide -lpthread -lg2c

    The new machine could find the libg2c.o library. The '-static' 
option didn't give problems
        Saludos

                Pablo de la Mora
----------------------------------------

Dariusz Chrobak wrote:

> 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 
>>
>>
>>
>>
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
>>
> 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
>
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