[Wien] Compiling for Athlon x2

Peter Blaha pblaha at theochem.tuwien.ac.at
Wed May 2 20:19:48 CEST 2007 

a) It is well documented and there were several messages in the mailing 
list, that you cannot use static linking with ifort9.x and mkl.

b) After succesfull compilation, you've got a dynamically executable, 
which needs the libraries also at run time. This must be ensured be 
putting a proper   LD_LIBRARY_PATH  variable. (userconfig even put 
coments into .cshrc/.bashrc, but you have to uncomment this and put the 
proper path names into it.


Pablo de la Mora schrieb:
> Dear Chandrika,
> Thank you for your advise, but there is something funny about the 'intel 
> mkl'; it cannot find lapack64.
> 
> I tried what you suggested, I explicitly put
> PATH="$PATH:$WIENROOT:/opt/intel/mkl/9.0/lib/em64t"
> I modified two files in
> /etc/ld.so.conf.d
>     mysql-x86_64.conf
>     qt-x86_64.conf
> in both I put the line
> /opt/intel/mkl/9.0/lib/em64t
> the file
> /opt/intel/mkl/9.0/lib/em64t/libmkl_lapack64.so
> exists and is not empty.
> 
> When I make a static compilation:
> 
>    Recommended options for system linuxif8 are:
>          Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip 
> -DINTEL_VML
>          Linker Flags:            $(FOPT) -L/opt/intel/mkl/8.0/lib/em64t 
> -lpthread
>          Preprocessor flags:      '-DParallel'
>          R_LIB (LAPACK+BLAS):     -lmkl_lapack64 -lmkl_em64t -lguide
> 
>    Current settings:
>      O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip 
> -DINTEL_VML
>      L   Linker Flags:            $(FOPT) -L/opt/intel/mkl/9.0/lib/em64t 
> -lpthread -static
>      P   Preprocessor flags       '-DParallel'
>      R   R_LIB (LAPACK+BLAS):     -lmkl_lapack64 -lmkl_em64t -lguide
> 
> I get:
> SRC_lapw1/compile.msg-ld: no se puede encontrar -lmkl_lapack64
> (it cannot find -lmkl_lapack64)
> 
> if, on the other hand, I compile dinamically I get
> undefined 'pthread_atfork'
> 
> but as Peter Blaha suggested I put '-pthread' into the compiling options.
> In this case I do not get any compiling errors, but when I run the program
> x lapw1
> I go back to the original problem, I get:
> /home/Programas/WIEN2k/lapw1: error while loading shared libraries: 
> libmkl_lapack64.so: cannot open shared object file: No such file or 
> directory.
> 
> I don't know if it is because I have a 'non-commercial' version of Intel 
> compilers (fortran and mkl), I also tried to get the 'evaluation' 
> version and I get the same behaviour.
>     Yours
> 
>              Pablo
> 
> Chandrika escribió:
>> Dear Pablo,
>> You need to define library paths in bashrc and ld.so.config in the etc 
>> directory (or the
>> equivalent files for your system) and define these in site config. Also look 
>> uo the nice
>> article by Gerhard Fecher on compiling Wien for begineers (you can download
>> this from the Wien site).
>> Best wishes,
>> Chandrika
>> ----- Original Message ----- 
>> From: "Pablo de la Mora" <delamora at servidor.unam.mx>
>> To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
>> Sent: Thursday, April 26, 2007 11:02 PM
>> Subject: Re: [Wien] Compiling for Athlon x2
>>
>>
>> After compiling successfully with '-pthread' I tryed to run the program
>> and lapw1 gives the error:
>> [pablo at mistla prueba]$ x lapw1
>> /home/Programas/WIEN2k/lapw1: error while loading shared libraries:
>> libmkl_lapack64.so: cannot open shared object file: No such file or
>> directory
>> 0.000u 0.004s 0:00.00 0.0%      0+0k 0+0io 0pf+0w
>> error: command   /home/Programas/WIEN2k/lapw1 lapw1.def   failed
>>
>> I have both fortran and mkl and this library 'libmkl_lapack64.so' is in
>> the /opt/intel... directory. I tried to copy it into the WIEN directory.
>> without success.
>>     Thanks
>>
>>        Pablo
>>
>> Pablo de la Mora escribió:
>>   
>>> Dear Peter,
>>>     Thank you, now the code compiled OK, the options as you suggested
>>> for an Athlon are:
>>>
>>>          Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip
>>> -DINTEL_VML
>>>          Linker Flags:            $(FOPT) -L/opt/intel/mkl/8.0/lib/em64t
>>> -lpthread
>>>          Preprocessor flags:      '-DParallel'
>>>          R_LIB (LAPACK+BLAS):     -lmkl_lapack64 -lmkl_em64t -lguide
>>>
>>>    Current settings:
>>>      O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip
>>> -DINTEL_VML
>>>      L   Linker Flags:            $(FOPT) -L/opt/intel/mkl/9.0/lib/em64t
>>> -pthread -lpthread
>>>      P   Preprocessor flags       '-DParallel'
>>>      R   R_LIB (LAPACK+BLAS):     -lmkl_lapack64 -lmkl_em64t -lguide
>>>
>>> Yours
>>>        Pablo de la Mora
>>>
>>>
>>> Peter Blaha escribió:
>>>
>>>     
>>>> Try adding   -pthread   (in additon to -lpthread) to the linker-flags
>>>>
>>>> Pablo de la Mora schrieb:
>>>>
>>>>
>>>>       
>>>>> Laurence,
>>>>>     I tried, but I don't seem to find an answer in connection to the
>>>>> WIEN program.
>>>>>     Thanks
>>>>>           Pablo
>>>>>
>>>>> Laurence Marks escribió:
>>>>>
>>>>>
>>>>>         
>>>>>> Google it
>>>>>> http://www.google.com/search?q=referencia+a+%60pthread%5Fatfork%27+sin+definir&hl=en&sourceid=gd&rls=DJUS,DJUS:2006-22,DJUS:en
>>>>>>
>>>>>> On 4/25/07, Pablo de la Mora <delamora at servidor.unam.mx> wrote:
>>>>>>
>>>>>>
>>>>>>
>>>>>>           
>>>>>>> Dear Wien Users,
>>>>>>>     I am compiling the WIEN2k code compiling for an Athlon x2 with the
>>>>>>> ifort 9.1.045 and mkl 9.0.018
>>>>>>> the compiling options are:
>>>>>>>      O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip
>>>>>>> -DINTEL_VML
>>>>>>>      L   Linker Flags:
>>>>>>>            $(FOPT) -L/opt/intel/mkl/9.0/lib/em64t
>>>>>>> -lpthread
>>>>>>>      P   Preprocessor flags       '-DParallel'
>>>>>>>      R   R_LIB (LAPACK+BLAS):     -lmkl_lapack64 -lmkl_em64t -lguide
>>>>>>> and I get
>>>>>>> SRC_aim/compile.msg:/opt/intel/mkl/9.0/lib/em64t/libguide.so:
>>>>>>> referencia
>>>>>>> a `pthread_atfork' sin definir
>>>>>>> in other words; undefined reference to `pthread_atfork'
>>>>>>>     This reference appears in:
>>>>>>>         aim, filtvec, lapw1, lapw2, lapw7, lapwdm, lapwso, min,
>>>>>>> pairhess, qtl and structeditor
>>>>>>> as a consequence this gives an error and these programs are not
>>>>>>> compiled.
>>>>>>>
>>>>>>>     Does anyone have any suggestions.
>>>>>>>
>>>>>>>        Thanks
>>>>>>>
>>>>>>>              Pablo
>>>>>>> _______________________________________________
>>>>>>> Wien mailing list
>>>>>>> Wien at zeus.theochem.tuwien.ac.at
>>>>>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>             
>>>>>>           
>>>>> _______________________________________________
>>>>> Wien mailing list
>>>>> Wien at zeus.theochem.tuwien.ac.at
>>>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>>>>
>>>>>
>>>>>         
>>>> _______________________________________________
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>>>>
>>>>
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>>   
> 
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