[Wien] MKL FATAL ERROR
ROBERTO LUIS IGLESIAS PASTRANA
roberto at uniovi.es
Wed Nov 19 17:30:33 CET 2008
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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