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<font size=2>Dear Gerhard and Roger, dear all<br><br>
Before attempting to go back to the 11.0 compiler, I tried as Gerhard
suggested and follow the recommendations of the mkl
advisor.<br><br>
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:<br><br>
bandv1.o: In function `bandv1_':<br>
bandv1.f:(.text+0xbc1): undefined reference to `dlarnv_'<br>
calkpt.o: In function `calkpt_':<br>
calkpt_tmp_.F:(.text+0x6e2): undefined reference to `dswap_'<br>
dblr2k.o: In function `dblr2k_':<br>
dblr2k.f:(.text+0x72): undefined reference to `dsyr2k_'<br>
dblr2k.f:(.text+0xf5): undefined reference to `dgemm_'<br>
dblr2k.f:(.text+0x16d): undefined reference to `dgemm_'<br>
dgeqrl.o: In function `dgeqrl_':<br>
dgeqrl.f:(.text+0x6f): undefined reference to `lsame_'<br>
dgeqrl.f:(.text+0x173): undefined reference to `dlarf_'<br>
dgeqrl.f:(.text+0x2c2): undefined reference to `dlarf_'<br>
..............................................................................................<br>
<br>
Or:<br><br>
.....................................................................................................<br>
lapack2.o: In function `dorm2r_':<br>
lapack2.f:(.text+0x283cc): undefined reference to `dgemv_'<br>
lapack2.f:(.text+0x2842b): undefined reference to `dger_'<br>
lapack2.f:(.text+0x28489): undefined reference to `dgemv_'<br>
lapack2.f:(.text+0x284e8): undefined reference to `dger_'<br>
lapack2.o: In function `dorml2_':<br>
lapack2.f:(.text+0x2895f): undefined reference to `dgemv_'<br>
lapack2.f:(.text+0x289bc): undefined reference to `dger_'<br>
lapack2.f:(.text+0x28a18): undefined reference to `dgemv_'<br>
lapack2.f:(.text+0x28a77): undefined reference to `dger_'<br>
......................................................................................................<br>
<br>
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:<br><br>
current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML
-traceback<br>
current:FPOPT:$(FOPT)<br>
current:LDFLAGS:-L/opt/intel/mkl/10.2.2.025/lib/em64t/ -static<br>
current:DPARALLEL:'-DParallel'<br>
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<br>
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<br>
current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_<br><br>
I would greatly welcome any suggestions on this matter. Thanks a lot in
advance<br><br>
Cheers<br><br>
Roberto<br><br>
<br>
</font><font size=3>At 16:16 17/12/2009, you wrote:<br>
<blockquote type=cite class=cite cite="">The professional version of 11.1
that includes the MKL works well and is fast,<br>
I do not have any problems in compiling or running Wien2k (9.2 or
older)<br>
however, I figured out that it is sometimes very helpful to read the
release notes and the manuals.<br><br>
Ciao<br>
Gerhard<br><br>
====================================<br>
Dr. Gerhard H. Fecher<br>
Institut of Inorganic and Analytical Chemistry<br>
Johannes Gutenberg - University<br>
55099 Mainz<br>
________________________________________<br>
Von: wien-bounces@zeus.theochem.tuwien.ac.at
[wien-bounces@zeus.theochem.tuwien.ac.at] im Auftrag von Roger E. Rink
[rrink@ameslab.gov]<br>
Gesendet: Donnerstag, 17. Dezember 2009 14:17<br>
An: A Mailing list for WIEN2k users<br>
Betreff: Re: [Wien] Compilation problem latest ifort/mkl/Ubuntu<br><br>
All I can recommend is to go back to an 11.0 intel compiler. I've
spent<br>
several weeks trying to get the 11.1 to work with no luck.
Your<br>
problems sound similar to the ones I was having (not finding the<br>
library) and the only fix was to backstep. This was with a Red
Hat<br>
Enterprise Linux 64bit install. Currently running with the 11.0.084<br>
ifort and icc compilers.<br><br>
Roger<br><br>
ROBERTO LUIS IGLESIAS PASTRANA wrote:<br>
> Dear all<br>
><br>
> 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
(<a href="http://www.ghfecher.de/html/bandstructure.html" eudora="autourl">
http://www.ghfecher.de/html/bandstructure.html</a>). I added the path to
the libraries, i. e.:<br>
><br>
> /opt/intel/Compiler/11.1/059/lib/intel64<br>
> /opt/intel/mkl/10.2.2.025/lib/em64t<br>
><br>
> to both /etc/ld.so.conf and /etc/ld.so.conf.d/libc.conf and used
ldconfig.<br>
><br>
> I added some lines to my .bashrc file as well:<br>
><br>
>
PATH="/opt/intel/Compiler/11.1/059/bin/intel64:${PATH}"<br>
> export PATH<br>
> #<br>
> MANPATH="/opt/intel/Compiler/11.1/059/man:${MANPATH}"<br>
> export MANPATH<br>
> #<br>
>
LD_LIBRARY_PATH="/opt/intel/mkl/10.2.2.025/lib/em64t:$LD_LIBRARY_PATH"<br>
> export LD_LIBRARY_PATH<br>
> #<br>
> INCLUDE="/opt/intel/mkl/10.2.2.025/include:$INCLUDE"<br>
> export INCLUDE<br>
> #<br>
> INTEL_LICENSE_FILE="/opt/intel/licenses"<br>
> export INTEL_LICENSE_FILE<br>
> #<br>
> export IFLPATH=/opt/intel/Compiler/11.1/059/lib/intel64<br>
> export MKLPATH=/opt/intel/mkl/10.2.2.025/lib/em64t<br>
> export ICCPATH=/opt/intel/Compiler/11.1/059/lib/intel64<br>
><br>
> Finally, here is my OPTIONS file for WIEN2k compilation:<br>
><br>
> current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML
-traceback<br>
> current:FPOPT:$(FOPT)<br>
> current:LDFLAGS:$(FOPT) -L/opt/intel/mkl/10.2.2.025/lib/em64t
-static<br>
> current:DPARALLEL:'-DParallel'<br>
> current:R_LIBS:-lmkl_lapack -lmkl_core -lmkl_em64t -lguide
-lpthread<br>
> 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)<br>
> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_<br>
><br>
> I get compilation errors in all the important directories, including
lapw*. Some of them state:<br>
><br>
> ld: cannot find -lmkl_lapack<br>
><br>
> which to me is amazing, since that library is of course present in
/opt/intel/mkl/10.2.2.025/lib/em64t<br>
><br>
> 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.<br>
><br>
> 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.<br>
><br>
> 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?<br>
><br>
> Thank you very much in advance<br>
><br>
> Yours<br>
><br>
> Roberto<br>
><br>
> _______________________________________________<br>
> Wien mailing list<br>
> Wien@zeus.theochem.tuwien.ac.at<br>
>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" eudora="autourl">
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
><br>
_______________________________________________<br>
Wien mailing list<br>
Wien@zeus.theochem.tuwien.ac.at<br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" eudora="autourl">
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a></blockquote>
<x-sigsep><p></x-sigsep>
Roberto Iglesias Pastrana<br>
Departamento de Física<br>
Universidad de Oviedo<br>
C/ Calvo Sotelo, s/n 33007 Oviedo<br>
Tel.: +34 985102898<br>
+34 985458136<br>
+34 985186456<br>
Fax: +34 985103324<br>
</font><font size=3 color="#0000FF">e-mail:
roberto@uniovi.es</font><font size=3> <br>
<x-tab> </x-tab></font>
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