[Wien] MKL FATAL ERROR

Peter Blaha pblaha at theochem.tuwien.ac.at
Thu Nov 20 07:25:53 CET 2008 

Please try   -static
This should force the linker to include all libraries statically into 
the executables and thus during execution, an error like
    MKL FATAL ERROR: Cannot load neither libmkl_mc.so nor libmkl_def.so
should not occur.
Most likely, -i-static only links the compiler libraries, but not the
mkl-libraries statically.

Alternatively, when you link dynamically, you need to tell at runtime, 
where the libraries are.
This can be done by an environment variable   LD_LIBRARY_PATH and
you must put the proper pathname of the mkl library there.

The userconfig_lapw script already puts some (commented) statements into 
your .bashrc (-cshrc) file and all you have to do is uncomment and 
complete these lines.


ROBERTO LUIS IGLESIAS PASTRANA schrieb:
> Dear Gerhard and Wien2k users
> 
> Thank you very much for your suggestions. I've tried all kinds of variations on them. I added the path to the libraries, i. e.:
> 
> /opt/intel/Compiler/11.0/069/lib/intel64
> /opt/intel/mkl/10.1.0.015/lib/em64t
> 
> to both /etc/ld.so.conf and /etc/ld.so.conf.d/libc.conf
> and used ldconfig as you wrote.
> 
> I think all the required libraries were given in R_LIBS. I tried to follow your guide on
> http://www.ghfecher.de/html/bandstructure.html
> Could you please be a little bit more specific?
> 
> I modified -static-intel option to -i-static. I tried to use -Bdynamic to link -libguide. Moreover, I repeated what appeared in LDFLAGS in the R_LIBS line. All of these in all possible combinations.
> 
> I changed the -ax to -xHost in FOPT and wrote -lpthread instead of the -pthread typo.
> 
> Finally, I stuck to the suggested Wien2k default option for a K linux system(ifort 10., mkl 10.0) and supressed all optimizations. See my (last try) OPTIONS file:
> 
> current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback
> current:FPOPT:$(FOPT)
> current:LDFLAGS:$(FOPT) -L/opt/intel/mkl/10.1.0.015/lib/em64t -i-static
> current:DPARALLEL:'-DParallel'
> current:R_LIBS:-lmkl_lapack -lmkl_core -lmkl_em64t -lguide -lpthread
> current:RP_LIBS:-lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -lmkl_sequential -lmkl_em64t
> 
> I get no compilation errors. However, I still get the same error in running:
> 
> $ x lapw0
>  LAPW0 END
> 1.056u 0.072s 0:01.12 100.0%	0+0k 0+440io 0pf+0w
> $x lapw1 
> 
> MKL FATAL ERROR: Cannot load neither libmkl_mc.so nor libmkl_def.so
> 0.060u 0.024s 0:00.02 400.0%	0+0k 0+256io 0pf+0w
> error: command  .../WIEN2k/lapw1 lapw1.def   failed
> 
> Gerhard, you told me you had Wien2k up and running on your computers for the same ifort and mkl versions. Could this be due that you use a different Linux distribution? I'm using the very recent (and somewhat buggy, I've noticed) Ubuntu Intrepid Ibex 8.10.
> 
> 
> Thanks a lot in advance.
> 
> Kind regards
> 
> Roberto
> 
> 
> ----- Mensaje original -----
> De: Gerhard Fecher <fecher at uni-mainz.de>
> Fecha: Martes, Noviembre 18, 2008 8:19 ombr
> Asunto: Re: [Wien] MKL FATAL ERROR
> 
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>> you link the mkl dynamic,
>> check if you gave in R_LIBS all required libraries (same for RP_LIBS)
>>
>> you also might need to tell the linker were the dynamic libraries 
>> are, use ldconfig to do so.
>>
>> try -static instead of -static-intel
>> take care, if you have progarms installed that use other or 
>> different versions of libguide, then you may need to link (only) 
>> libguide dynamically.
>> may be you need to repeat it in the R_LIBS line (check what comes 
>> first in the makefile LDFLAGS or R_LIBS)
>>
>> The -static compilation works on my computers with out problems for 
>> the same ifort and mkl versions.
>>
>> if you do not need the generic Pentium code, use -x instead of -ax 
>> in FOPT, try always first without processor specific optimizations.
>>
>> If I remember correctly then IFort 11 comes with an own version of 
>> MKL, check youre installation and see if you have a mixture of MKLs.
>>
>> I like that -pthread typo a lot.
>>
>> Ciao
>> Gerhard
>> ________________________________________
>> Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-
>> bounces at zeus.theochem.tuwien.ac.at] im Auftrag von ROBERTO LUIS 
>> IGLESIAS PASTRANA [roberto at uniovi.es]
>> Gesendet: Montag, 17. November 2008 17:28
>> An: wien at zeus.theochem.tuwien.ac.at
>> Betreff: [Wien] MKL FATAL ERROR
>>
>> Hi all!
>>
>> I successfully installed Wien2k_08.3 on an Intel (R) Core(TM)2 Quad 
>> Q9300 @2.50GHz that runs Ubuntu 8.10, using  ifort 11.0.069 and mkl 
>> libraries 10.1.0.015. I received no compilation errors during 
>> installation. I used basically the default OPTIONS:
>>
>> current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -
>> traceback -axSSE4.1 -O3 -ip
>> current:FPOPT:$(FOPT)
>> current:LDFLAGS:$(FOPT) -L/opt/intel/mkl/10.1.0.015/lib/em64t -
>> static-intel
>> current:DPARALLEL:'-DParallel'
>> current:R_LIBS:-L/opt/intel/mkl/10.1.0.015/lib/em64t -lmkl_lapack -
>> lmkl_core -lmkl_em64t -lguide -pthread
>> current:RP_LIBS:-lmkl_intel_lp64 -lmkl_scalapack_lp64 -
>> lmkl_blacs_lp64 -lmkl_sequential -lmkl_em64t
>>
>> When trying to check one of the test files (fccNi) I get an error 
>> in uplapw1:
>>
>>    start       (Mon Nov 17 17:04:41 CET 2008) with lapw0 (40/99 to 
>> go)
>>    cycle 1     (Mon Nov 17 17:04:41 CET 2008)  (40/99 to go)
>>
>>>   lapw0       (17:04:41) 1.636u 0.112s 0:01.74 100.0% 0+0k 
>> 0+432io 0pf+0w
>>>   lapw1  -up          (17:04:42)
>> MKL FATAL ERROR: Cannot load neither libmkl_mc.so nor libmkl_def.so
>> 0.032u 0.008s 0:00.06 50.0%     0+0k 0+160io 0pf+0w
>> error: command   /home/titin/Programas/WIEN2k/lapw1 uplapw1.def   
>> failed
>>>   stop error
>> There is no simlar problem posted to the ML up to now and I checked 
>> the intel forums and found no clear solution, although it appears 
>> to be an MKL version-related error and not specific to Wien2k.
>>
>> Any ideas apart from going back to a previous MKL and (eventually) 
>> ifort version?
>>
>> Thanks in advance for your help.
>>
>> Best regards
>>
>> Roberto
>>
>> Roberto Iglesias
>> Dpt. Physics
>> University of Oviedo
>> 33003 Oviedo
>> SPAIN
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