[Wien] wien2k serial installation
AJAY SINGH VERMA
ajay_phy at hotmail.com
Tue Sep 25 16:37:39 CEST 2012
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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