[Wien] Compilation problem latest ifort/mkl/Ubuntu
Roberto Iglesias
roberto at uniovi.es
Fri Dec 18 16:39:37 CET 2009
Dear Gerhard, dear all
It seems I was doing something wrong with the
library paths or the bashrc settings. After
redoing everything from scratch and using
Gerhard's options, I get no compilation errors.
Thank you very much for your input and merry Christmas to you all!
Roberto
At 10:24 18/12/2009, you wrote:
>Check if the libraries are realy in the path
>that you give in the options and that they fit youre bash.rc settings
>
>try something like (use the path were you have the libraries):
>
>current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad
>-DINTEL_VML -xHost -O3 -m64 -ip -traceback
>
>current:LDFLAGS:-L/opt/intel/Compiler/11.1/059/lib/intel64
>-lsvml -lguide -lpthread
>
>current:R_LIBS:-L/opt/intel/Compiler/11.1/059/mkl/lib/em64t
>-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread
>
>
>This works on my Quadcore Desktop, Xeon Cluster, and Dualcore Notebook
>
>
>Ciao
>Gerhard
>
>====================================
>Dr. Gerhard H. Fecher
>Institut of Inorganic and Analytical Chemistry
>Johannes Gutenberg - University
>55099 Mainz
>________________________________________
>Von: wien-bounces at zeus.theochem.tuwien.ac.at
>[wien-bounces at zeus.theochem.tuwien.ac.at] im
>Auftrag von Roberto Iglesias [roberto at uniovi.es]
>Gesendet: Donnerstag, 17. Dezember 2009 19:35
>An: A Mailing list for WIEN2k users
>Betreff: Re: [Wien] Compilation problem latest ifort/mkl/Ubuntu
>
>Dear Gerhard and Roger, dear all
>
>Before attempting to go back to the 11.0
>compiler, I tried as Gerhard suggested and
>follow the recommendations of the mkl advisor.
>
>I get no errors for some scripts, as lapw0, for
>which I previously did. However, new compilation
>errors appear for others, ssuch as lapw1/2. An
>excerpt from those can be seen below:
>
>bandv1.o: In function `bandv1_':
>bandv1.f:(.text+0xbc1): undefined reference to `dlarnv_'
>calkpt.o: In function `calkpt_':
>calkpt_tmp_.F:(.text+0x6e2): undefined reference to `dswap_'
>dblr2k.o: In function `dblr2k_':
>dblr2k.f:(.text+0x72): undefined reference to `dsyr2k_'
>dblr2k.f:(.text+0xf5): undefined reference to `dgemm_'
>dblr2k.f:(.text+0x16d): undefined reference to `dgemm_'
>dgeqrl.o: In function `dgeqrl_':
>dgeqrl.f:(.text+0x6f): undefined reference to `lsame_'
>dgeqrl.f:(.text+0x173): undefined reference to `dlarf_'
>dgeqrl.f:(.text+0x2c2): undefined reference to `dlarf_'
>..............................................................................................
>
>Or:
>
>.....................................................................................................
>lapack2.o: In function `dorm2r_':
>lapack2.f:(.text+0x283cc): undefined reference to `dgemv_'
>lapack2.f:(.text+0x2842b): undefined reference to `dger_'
>lapack2.f:(.text+0x28489): undefined reference to `dgemv_'
>lapack2.f:(.text+0x284e8): undefined reference to `dger_'
>lapack2.o: In function `dorml2_':
>lapack2.f:(.text+0x2895f): undefined reference to `dgemv_'
>lapack2.f:(.text+0x289bc): undefined reference to `dger_'
>lapack2.f:(.text+0x28a18): undefined reference to `dgemv_'
>lapack2.f:(.text+0x28a77): undefined reference to `dger_'
>......................................................................................................
>
>Perhaps it's a dummy thing, but I followed
>exactly the suggestions given in the mkl advisor
>web page, and thus, my options file reads now:
>
>current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback
>current:FPOPT:$(FOPT)
>current:LDFLAGS:-L/opt/intel/mkl/10.2.2.025/lib/em64t/ -static
>current:DPARALLEL:'-DParallel'
>current:R_LIBS:-L/opt/intel/mkl/10.2.2.025/lib/em64t/libmkl_solver_ilp64.a
>-Wl,--start-group
>-L/opt/intel/mkl/10.2.2.025/lib/em64t/libmkl_intel_ilp64.a
>-L/opt/intel/mkl/10.2.2.025/lib/em64t/libmkl_intel_thread.a
>-L/opt/intel/mkl/10.2.2.025/lib/em64t/libmkl_core.a
>-Wl,--end-group -openmp -lpthread
>current:RP_LIBS:-L/opt/intel/mkl/10.2.2.025/lib/em64t/libmkl_solver_ilp64.a
>-Wl,--start-group
>-L/opt/intel/mkl/10.2.2.025/lib/em64t/libmkl_intel_ilp64.a
>-L/opt/intel/mkl/10.2.2.025/lib/em64t/libmkl_intel_thread.a
>-L/opt/intel/mkl/10.2.2.025/lib/em64t/libmkl_core.a
>-Wl,--end-group -openmp -lpthread
>current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
>
>I would greatly welcome any suggestions on this
>matter. Thanks a lot in advance
>
>Cheers
>
>Roberto
>
>
>At 16:16 17/12/2009, you wrote:
>The professional version of 11.1 that includes the MKL works well and is fast,
>I do not have any problems in compiling or running Wien2k (9.2 or older)
>however, I figured out that it is sometimes very
>helpful to read the release notes and the manuals.
>
>Ciao
>Gerhard
>
>====================================
>Dr. Gerhard H. Fecher
>Institut of Inorganic and Analytical Chemistry
>Johannes Gutenberg - University
>55099 Mainz
>________________________________________
>Von: wien-bounces at zeus.theochem.tuwien.ac.at
>[wien-bounces at zeus.theochem.tuwien.ac.at] im
>Auftrag von Roger E. Rink [rrink at ameslab.gov]
>Gesendet: Donnerstag, 17. Dezember 2009 14:17
>An: A Mailing list for WIEN2k users
>Betreff: Re: [Wien] Compilation problem latest ifort/mkl/Ubuntu
>
>All I can recommend is to go back to an 11.0 intel compiler. I've spent
>several weeks trying to get the 11.1 to work with no luck. Your
>problems sound similar to the ones I was having (not finding the
>library) and the only fix was to backstep. This was with a Red Hat
>Enterprise Linux 64bit install. Currently running with the 11.0.084
>ifort and icc compilers.
>
>Roger
>
>ROBERTO LUIS IGLESIAS PASTRANA wrote:
> > Dear all
> >
> > I am trying to install Wien2k_09.2 on an
> Intel (R) Core(TM)2 QUAD Q9300 @2.50 GHz
> computer taht runs Ubuntu 9.10, using
> ifort 11.1.059 and mkl 10.2.2.025 libraries. I
> followed mainly Gerhard Fecher's guide (
> http://www.ghfecher.de/html/bandstructure.html).
> I added the path to the libraries, i. e.:
> >
> > /opt/intel/Compiler/11.1/059/lib/intel64
> > /opt/intel/mkl/10.2.2.025/lib/em64t
> >
> > to both /etc/ld.so.conf and /etc/ld.so.conf.d/libc.conf and used ldconfig.
> >
> > I added some lines to my .bashrc file as well:
> >
> > PATH="/opt/intel/Compiler/11.1/059/bin/intel64:${PATH}"
> > export PATH
> > #
> > MANPATH="/opt/intel/Compiler/11.1/059/man:${MANPATH}"
> > export MANPATH
> > #
> > LD_LIBRARY_PATH="/opt/intel/mkl/10.2.2.025/lib/em64t:$LD_LIBRARY_PATH"
> > export LD_LIBRARY_PATH
> > #
> > INCLUDE="/opt/intel/mkl/10.2.2.025/include:$INCLUDE"
> > export INCLUDE
> > #
> > INTEL_LICENSE_FILE="/opt/intel/licenses"
> > export INTEL_LICENSE_FILE
> > #
> > export IFLPATH=/opt/intel/Compiler/11.1/059/lib/intel64
> > export MKLPATH=/opt/intel/mkl/10.2.2.025/lib/em64t
> > export ICCPATH=/opt/intel/Compiler/11.1/059/lib/intel64
> >
> > Finally, here is my OPTIONS file for WIEN2k compilation:
> >
> > current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback
> > current:FPOPT:$(FOPT)
> > current:LDFLAGS:$(FOPT) -L/opt/intel/mkl/10.2.2.025/lib/em64t -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 -L/opt/local/fftw/lib/ -lfftw_mpi -lfftw $(R_LIBS)
> > current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
> >
> > I get compilation errors in all the important
> directories, including lapw*. Some of them state:
> >
> > ld: cannot find -lmkl_lapack
> >
> > which to me is amazing, since that library is
> of course present in /opt/intel/mkl/10.2.2.025/lib/em64t
> >
> > I've tried many things, such as using
> /opt/intel/mkl/10.2.2.025/lib/64 instead or
> installing the compilers from
> l_cprof_p_11.1.059.tgz instead of
> l_cprof_p_11.1.059_intel64.tgz, for instance. Nothing worked.
> >
> > I've been able to run a proper Wien2k
> installation in the same computer with Ubuntu
> 8.10 and 11.0.069 versions of the compilers. I
> was thinking of going back to that compiler version.
> >
> > Does anybody know if there is any trouble or
> fundamental incompatibility in the Ubuntu
> 9.10/Compiler 11.1.059/MKL 10.2.2.025/WIEN2k_09.2 combination?
> >
> > Thank you very much in advance
> >
> > Yours
> >
> > Roberto
> >
> > _______________________________________________
> > 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
>
>Roberto Iglesias Pastrana
>Departamento de Física
>Universidad de Oviedo
>C/ Calvo Sotelo, s/n 33007 Oviedo
>Tel.: +34 985102898
> +34 985458136
> +34 985186456
>Fax: +34 985103324
>e-mail: roberto at uniovi.es
>
>
>_______________________________________________
>Wien mailing list
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>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
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