[Wien] wien2k serial installation
Peter Blaha
pblaha at theochem.tuwien.ac.at
Tue Sep 25 18:56:34 CEST 2012
The problem is with your library definitions.
For sure you do not need -lmkl_blacs_openmpi
There is the intel link-library advisor, which should tell you, which libraries to use.
siteconfig has a link to this site.
Am 25.09.2012 16:37, schrieb AJAY SINGH VERMA:
> Sir, when i used static option in the linker flag lib problem get solved,but kw some other problem like below occurs
> dsyev_gen.f:(.text+0x132): undefined reference to `mkl_serv_mkl_get_max_threads'
> dsyev_gen.f:(.text+0x19a): undefined reference to `mkl_lapack_dsytrd'
> dsyev_gen.f:(.text+0x441): undefined reference to `mkl_lapack_dsytrd'
> //opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_core.a(dsteqr.o): In function `mkl_lapack_dsteqr':
> dsteqr_gen.f:(.text+0x1e0): undefined reference to `mkl_serv_mkl_get_max_threads'
> dsteqr_gen.f:(.text+0xcf9): undefined reference to `mkl_lapack_dlasr3'
> dsteqr_gen.f:(.text+0x1242): undefined reference to `mkl_lapack_dlasr3'
> dsteqr_gen.f:(.text+0x19c0): undefined reference to `mkl_lapack_dlasr3'
> dsteqr_gen.f:(.text+0x1ba3): undefined reference to `mkl_lapack_dlasr3'
> dsteqr_gen.f:(.text+0x2281): undefined reference to `mkl_lapack_dlasr3'
> //opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_core.a(dsteqr.o):dsteqr_gen.f:(.text+0x2516): more undefined references to `mkl_lapack_dlasr3' follow
> //opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_core.a(dlarft.o): In function `mkl_lapack_dlarft':
> dlarft_gen.f:(.text+0x32f): undefined reference to `mkl_blas_dgemm'
> dlarft_gen.f:(.text+0x73f): undefined reference to `mkl_blas_dgemm'
> dlarft_gen.f:(.text+0xb2a): undefined reference to `mkl_blas_dtrmm'
> dlarft_gen.f:(.text+0xf53): undefined reference to `mkl_blas_dgemm'
> dlarft_gen.f:(.text+0x1363): undefined reference to `mkl_blas_dgemm'
> dlarft_gen.f:(.text+0x1766): undefined reference to `mkl_blas_dtrmm'
> //opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_core.a(dlarfb.o): In function `mkl_lapack_dlarfb':
> dlarfb_gen.f:(.text+0x22d): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x2a9): undefined reference to `mkl_blas_dgemm'
> dlarfb_gen.f:(.text+0x2ff): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x388): undefined reference to `mkl_blas_dgemm'
> dlarfb_gen.f:(.text+0x3e8): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x5b8): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x63c): undefined reference to `mkl_blas_dgemm'
> dlarfb_gen.f:(.text+0x694): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x719): undefined reference to `mkl_blas_dgemm'
> dlarfb_gen.f:(.text+0x771): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x955): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x9c4): undefined reference to `mkl_blas_dgemm'
> dlarfb_gen.f:(.text+0xa1a): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0xa8e): undefined reference to `mkl_blas_dgemm'
> dlarfb_gen.f:(.text+0xb06): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0xd06): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0xd78): undefined reference to `mkl_blas_dgemm'
> dlarfb_gen.f:(.text+0xdd0): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0xe44): undefined reference to `mkl_blas_dgemm'
> dlarfb_gen.f:(.text+0xebc): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x1108): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x1192): undefined reference to `mkl_blas_dgemm'
> dlarfb_gen.f:(.text+0x11f0): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x1285): undefined reference to `mkl_blas_dgemm'
> dlarfb_gen.f:(.text+0x12e5): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x14cd): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x1558): undefined reference to `mkl_blas_dgemm'
> dlarfb_gen.f:(.text+0x15b8): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x164f): undefined reference to `mkl_blas_dgemm'
> dlarfb_gen.f:(.text+0x16a7): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x18a9): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x191b): undefined reference to `mkl_blas_dgemm'
> dlarfb_gen.f:(.text+0x1979): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x19f8): undefined reference to `mkl_blas_dgemm'
> dlarfb_gen.f:(.text+0x1a7d): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x1c99): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x1d08): undefined reference to `mkl_blas_dgemm'
> dlarfb_gen.f:(.text+0x1d68): undefined reference to `mkl_blas_dtrmm'
> dlarfb_gen.f:(.text+0x1de7): undefined reference to `mkl_blas_dgemm'
> dlarfb_gen.f:(.text+0x1e6c): undefined reference to `mkl_blas_dtrmm'
> //opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_core.a(ilaenv_steqr.o): In function `mkl_lapack_ilaenv_steqr':
> ilaenv_steqr_gen.f:(.text+0x3a): undefined reference to `mkl_serv_mkl_get_max_threads'
> //opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_core.a(ilaenv.o): In function `mkl_lapack_ilaenv':
> ilaenv_gen.f:(.text+0x3546): undefined reference to `mkl_serv_get_ncorespercpu'
> ilaenv_gen.f:(.text+0x3725): undefined reference to `mkl_serv_get_ncorespercpu'
> //opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_core.a(dsyrdb.o): In function `mkl_lapack_dsyrdb':
> dsyrdb_gen.f:(.text+0x545): undefined reference to `mkl_blas_dgemm'
> dsyrdb_gen.f:(.text+0x5dc): undefined reference to `mkl_blas_dgemm'
> dsyrdb_gen.f:(.text+0x650): undefined reference to `mkl_blas_dsymm'
> dsyrdb_gen.f:(.text+0x6c3): undefined reference to `mkl_blas_dgemm'
> dsyrdb_gen.f:(.text+0x736): undefined reference to `mkl_blas_dgemm'
> dsyrdb_gen.f:(.text+0x7ab): undefined reference to `mkl_blas_dsyr2k'
> dsyrdb_gen.f:(.text+0x829): undefined reference to `mkl_blas_dgemm'
> dsyrdb_gen.f:(.text+0x88c): undefined reference to `mkl_blas_dgemm'
> dsyrdb_gen.f:(.text+0xf2e): undefined reference to `mkl_blas_dgemm'
> dsyrdb_gen.f:(.text+0xfdb): undefined reference to `mkl_blas_dgemm'
> dsyrdb_gen.f:(.text+0x107b): undefined reference to `mkl_blas_dsymm'
> dsyrdb_gen.f:(.text+0x10fa): undefined reference to `mkl_blas_dgemm'
> dsyrdb_gen.f:(.text+0x1176): undefined reference to `mkl_blas_dgemm'
> dsyrdb_gen.f:(.text+0x120d): undefined reference to `mkl_blas_dsyr2k'
> dsyrdb_gen.f:(.text+0x12a6): undefined reference to `mkl_blas_dgemm'
> dsyrdb_gen.f:(.text+0x1322): undefined reference to `mkl_blas_dgemm'
> //opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_core.a(dsbrdb.o): In function `mkl_lapack_dsbrdb':
> dsbrdb_gen.f:(.text+0x14b0): undefined reference to `mkl_lapack_dlaeh2'
> dsbrdb_gen.f:(.text+0x23aa): undefined reference to `mkl_lapack_dlaeh2'
> //opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_core.a(ilaenv_sygst.o): In function `mkl_lapack_ilaenv_sygst':
> ilaenv_sygst_gen.f:(.text+0x3a): undefined reference to `mkl_serv_mkl_get_max_threads'
> make[1]: *** [aimc] Error 1
> make[1]: Leaving directory `/home/sheetal/wien/SRC_aim'
> make: *** [complex] Error 2
>
> ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
> From: ajay_phy at hotmail.com
> To: wien at zeus.theochem.tuwien.ac.at
> Date: Tue, 25 Sep 2012 19:13:53 +0530
> Subject: [Wien] wien2k serial installation
>
> dear users,
> please help me in the serial installation of the software by telling me that where i am wrong.
> as compilation shows undefined references to all libraries.
> please help me.
> Thanks in advance
> ajay
>
>
> BASHRC CONSISTS OF
> source /opt/intel/composer_xe_2013.0.079/bin/ifortvars.sh ia32
> source /opt/intel/composer_xe_2013.0.079/mkl/bin/ia32/mklvars_ia32.sh
> alias ifort='/opt/intel/composer_xe_2013.0.079/bin/ia32/ifort'
> alias mklvars_ia32.sh='/opt/intel/composer_xe_2013.0.079/mkl/bin/ia32/mklvars_ia32.sh'
>
>
>
>
> ******************************
> * Specify compiler options *
> ******************************
>
> PLEASE NOTE: Best performance can be obtained with processor specific options.
> Very important for speed-up is a vendor optimized BLAS (like mkl, essl, ..),
> or at least the GOTO- or ATLAS-BLAS instead of the simple "-lblas_lapw"
>
> For more info see http://www.wien2k.at/reg_user/faq
> searching ....
> You have the following mkl libraries in /opt/intel/composer_xe_2013.0.079/mkl :
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_core.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_blacs_openmpi.a
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_scalapack_core.a
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_rt.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_avx.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_p4m.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_intel.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_blacs_intelmpi.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_gnu_thread.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_blacs_intelmpi.a
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_avx2.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_intel_thread.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_core.a
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_intel_thread.a
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_avx.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_p4p.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_intel.a
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_gf.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_scalapack_core.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_sequential.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_sequential.a
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_cmpt.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_ia.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_p4m3.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_p4.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_cdft_core.a
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_pgi_thread.a
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_p4m2.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_blacs.a
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_p4m3.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_gnu_thread.a
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_p4p.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_cdft_core.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_avx2.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_lapack95.a
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_pgi_thread.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_gf.a
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_blas95.a
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_p4m.so
> /opt/intel/composer_xe_2013.0.079/mkl/lib/ia32/libmkl_vml_p4.so
> On the next screen you must choose suitable mkl and lapack libraries
> Hit Enter to continue
> Since intel changes the name of the mkl-libraries from version to version,
> you may find the linking options for the most recent ifort version at
> http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/
>
> Recommended options for system linuxifc are:
> Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
> Linker Flags: $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread
> Preprocessor flags: '-DParallel'
> R_LIB (LAPACK+BLAS): -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread
>
> Current settings:
> O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback
> L Linker Flags: $(FOPT) -L/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32 -pthread
> P Preprocessor flags '-DParallel'
> R R_LIB (LAPACK+BLAS): $(FOPT) -L/opt/intel/composer_xe_2013.0.079/mkl/lib/ia32 -lmkl_core -lmkl_blacs_openmpi -lmkl_lapack95 -lpthread -lmkl_intel
>
> S Save and Quit
> Q Quit abandon changes
>
> To change an item select option.
>
>
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>
>
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--
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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