[Wien] Compilation problem
Gerhard Fecher
fecher at uni-mainz.de
Tue May 11 08:45:05 CEST 2010
check in directory
/opt/intel/Compiler/11.1/069/Documentation/en_US/mkl
there should be the usersguide for the mkl as pdf file
in section 5 you find which libraries you need to link
I use only 64 bit systems but for for a 32 bit system you have to use dynamic linking !
check also
http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/
to find which libraries you need
and check that youre LD_LIBRARY_PATH is set correctly
and use the wien2k mailing list to search for fecher mkl linking
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 "Chukwuemeka Okoye [okoyecmi at yahoo.com]
Gesendet: Dienstag, 11. Mai 2010 02:37
An: A Mailing list for WIEN2k users
Betreff: [Wien] [SPAM?] Re: Compilation problem
Dear Prof Gerhard Fecher,
Thanks for your suggestion.
I have tried it following
-L/opt/intel/Compiler/11.1/069/mkl/lib/32
with various options of lapack lguide lpthread
without success
Thanks
Emeka Okoye
Chukwuemeka M I Okoye
Department of Physics and Astronomy,
University of Nigeria,
Nsukka.
Enugu State,
NIGERIA.
Phone: +234-7038766990
+234-8053310658
E-mail: okoyecmi at yahoo.com
--- On Mon, 5/10/10, Gerhard Fecher <fecher at uni-mainz.de> wrote:
From: Gerhard Fecher <fecher at uni-mainz.de>
Subject: Re: [Wien] Compilation problem
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Date: Monday, May 10, 2010, 11:18 AM
may be you need the -L/... directive also for the R_LIB line,
did you check the Intel MKL manual or webpage for the linker options and what libraries to use ?
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<http://us.mc567.mail.yahoo.com/mc/compose?to=wien-bounces@zeus.theochem.tuwien.ac.at> [wien-bounces at zeus.theochem.tuwien.ac.at<http://us.mc567.mail.yahoo.com/mc/compose?to=wien-bounces@zeus.theochem.tuwien.ac.at>]" im Auftrag von "Chukwuemeka Okoye [okoyecmi at yahoo.com<http://us.mc567.mail.yahoo.com/mc/compose?to=okoyecmi@yahoo.com>]
Gesendet: Montag, 10. Mai 2010 19:45
An: wien at zeus.theochem.tuwien.ac.at<http://us.mc567.mail.yahoo.com/mc/compose?to=wien@zeus.theochem.tuwien.ac.at>
Betreff: [Wien] Compilation problem
Dear Wien users,
I am compiling Wien2k v9.2 on Mandriva 10.1 32-bit iso using Intel Compiler 11.1.
My current settings are:
O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback
L Linker Flags: $(FOPT) -L/opt/intel/Compiler/11.1/069/mkl/lib/32 -pthread -i-static
P Preprocessor flags '-DParallel'
R R_LIB (LAPACK+BLAS): -lmkl_intel -lmkl_lapack -lguide -lpthread
Here is a sample of the outcome.
SRC_structeditor/SRC_ncmsymmetry ...
rm -f *.o *_tmp_.* *.P *.mod ncmsymmetry
make: Circular module.o <- module.o dependency dropped.
ifort -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -c module.f
ifort -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -c gtfnam.f
ifort -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -c errflg.f
ifort -o ./ncmsymmetry module.o gtfnam.o errflg.o errclr.o outerr.o ncmsymmetry.o determinant.o euler.o inversa.o make_struct_klist.o test_symetry.o def_Ylm_rot_mat.o def_spin_rot_mat.o make_point_groups.o make_lm_list.o fix_nonmagatom.o lapack.o fix_rotloc.o fiteta.o symop.o class.o dirdeh.o kurki.o lmsort.o matrot.o dirdef.o lapack2.o symgen.o order_symoper.o pglsym.o put.o matinv.o ludcmp.o lubksb.o -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -L/opt/intel/Compiler/11.1/069/mkl/lib/32 -pthread -i-static -lmkl_intel -lmkl_lapack -lguide -lpthread
/opt/intel/Compiler/11.1/069/mkl/lib/32/libmkl_lapack.so: undefined reference to `mkl_pds_sp_blkslv_pardiso'
/opt/intel/Compiler/11.1/069/mkl/lib/32/libmkl_intel.so: undefined reference to `mkl_gmp_mpn_mod_1'
/opt/intel/Compiler/11.1/069/mkl/lib/32/libmkl_intel.so: undefined reference to `mkl_lapack_zgetrf'
/opt/intel/Compiler/11.1/069/mkl/lib/32/libmkl_lapack.so: undefined reference to `mkl_serv_xerbla'
/opt/intel/Compiler/11.1/069/mkl/lib/32/libmkl_intel.so: undefined reference to `mkl_serv_getcpufreque
Compile time errors (if any) were:
SRC_aim/compile.msg:make[1]: *** [aim] Error 1
SRC_aim/compile.msg:make: *** [real] Error 2
SRC_aim/compile.msg:make[1]: *** [aimc] Error 1
SRC_aim/compile.msg:make: *** [complex] Error 2
SRC_dipan/compile.msg:make: *** [dipan] Error 1
SRC_filtvec/compile.msg:make[1]: *** [filtvec] Error 1
SRC_filtvec/compile.msg:make: *** [real] Error 2
SRC_filtvec/compile.msg:make[1]: *** [filtvecc] Error 1
SRC_filtvec/compile.msg:make: *** [complex] Error 2
SRC_lapw0/compile.msg:make[1]: *** [lapw0] Error 1
SRC_lapw0/compile.msg:make: *** [seq] Error 2
SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1
SRC_lapw1/compile.msg:make: *** [real] Error 2
SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1
SRC_lapw1/compile.msg:make: *** [complex] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1
SRC_lapw2/compile.msg:make: *** [real] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1
SRC_lapw2/compile.msg:make: *** [complex] Error 2
SRC_lapw7/compile.msg:make[1]: *** [lapw7] Error 1
SRC_lapw7/compile.msg:make: *** [real] Error 2
SRC_lapw7/compile.msg:make[1]: *** [lapw7c] Error 1
SRC_lapw7/compile.msg:make: *** [complex] Error 2
SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1
SRC_lapwdm/compile.msg:make: *** [real] Error 2
SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1
SRC_lapwdm/compile.msg:make: *** [complex] Error 2
SRC_lapwso/compile.msg:make: *** [lapwso] Error 1
SRC_mini/compile.msg:make: *** [mini] Error 1
SRC_mixer/compile.msg:make: *** [mixer] Error 1
SRC_pairhess/compile.msg:make: *** [pairhess] Error 1
SRC_qtl/compile.msg:make: *** [qtl] Error 1
SRC_structeditor/compile.msg:make[1]: *** [ncmsymmetry] Error 1
SRC_structeditor/compile.msg:make: *** [all] Error 2
SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1
Any suggestion to enable me overcom this problem will be appreciated
Thanks
Emeka Okoye
Chukwuemeka M I Okoye
Department of Physics and Astronomy,
University of Nigeria,
Nsukka.
Enugu State,
NIGERIA.
Phone: +234-7038766990
+234-8053310658
E-mail: okoyecmi at yahoo.com<http://us.mc567.mail.yahoo.com/mc/compose?to=okoyecmi@yahoo.com>
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