[Wien] Compiling for Athlon x2
Pablo de la Mora
delamora at servidor.unam.mx
Wed May 2 15:11:30 CEST 2007
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
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>>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>>>
>>>>
>>>>
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