[CP2K:4129] installation error for intel mkl: can not find libblacs.a

Sandeep Kumar Reddy kuma... at gmail.com
Mon Oct 29 11:58:03 CET 2012


Hi,
    You need to replace the names in arch file with names present in intel
mkl directory.

Like,

LIBS =  -L$(MKLROOT)/lib/intel64
 $(MKLROOT)/lib/intel64/libmkl_blas95_lp64.a
 $(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a \
-lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
-lmkl_blacs_intelmpi_lp64 -lpthread -lm -lfftw3xf_intel

Wishes,
Sandeep


On Mon, Oct 29, 2012 at 3:53 PM, Riping Wang <wang.ri... at gmail.com>wrote:

> Dear Forum,
>
> I am installing cp2k: the parallel version popt with mpich2-1.5 and intel
> mkl.
> with command"make -j 12 ARCH=Linux-x86-64-intel VERSION=popt"
>
> But it can not find some lib, with error reports:
> '''
> ...
> ifort: command line remark #10279: option '-xW' is deprecated and will be
> removed in a future release. See '-help deprecated'
> ifort: error #10236: File not found:
> '/opt/intel/mkl/lib/intel64/libscalapack.a'
> ifort: error #10236: File not found:
> '/opt/intel/mkl/lib/intel64/libblacs_init.a'
> ifort: error #10236: File not found:
> '/opt/intel/mkl/lib/intel64/libblacs.a'
> ifort: error #10236: File not found:
> '/opt/intel/mkl/lib/intel64/libacml.a'
> ifort: error #10236: File not found:
> '/opt/intel/mkl/lib/intel64/libacml_mv.a'
> ifort: error #10236: File not found:
> '/opt/intel/mkl/lib/intel64/libfftw3.a'
> '''
>
> The content of installation file Linux-x86-64-intel.popt is appended
> bellow.
> I only add three lines on to the original file downloaded from web,
> without change anything else.
> These three lines are:
> '''
> INTEL_MKL =/opt/intel/mkl
> INTEL_INC = $(INTEL_MKL)/include/fftw
> INTEL_LIB = $(INTEL_MKL)/lib/intel64
> '''
>
> I can not find files of libblacs_init.a, libscalapack.a and others
> on the directory of $INTEL_LIB (/opt/intel/mkl/lib/intel64/) on my machine.
> Instead, I find libmkl_blacs_intelmpi_ilp64.a, libmkl_scalapack_ilp64.a
> and
> some others with name slight different.
> I also attached the name of all the file contained in this $INTEL_LIB
> directory.
>
> Any one could give hints.
> Thank you very much.
>
> WANG Riping
> 2012.10.29
>
>
>
>
>
> content in installation file Linux-x86-64-intel.popt:
>
> ######################################################################################################
> # by default some intel compilers put temporaries on the stack
> # this might lead to segmentation faults is the stack limit is set to low
> # stack limits can be increased by sysadmins or e.g with ulimit -s 256000
> # furthermore new ifort (10.0?) compilers support the option
> # -heap-arrays 64
> # add this to the compilation flags is the other options do not work
> # The following settings worked for:
> # - AMD64 Opteron
> # - SUSE Linux Enterprise Server 10.0 (x86_64)
> # - Intel(R) Fortran Compiler for Intel(R) EM64T-based applications,
> Version 10.0.025
> # - AMD acml library version 3.6.0
> # - MPICH2-1.0.5p4
> # - SCALAPACK library          1.8.0
> #
> #
>
> INTEL_MKL =/opt/intel/mkl
> INTEL_INC = $(INTEL_MKL)/include/fftw
> INTEL_LIB = $(INTEL_MKL)/lib/intel64
>
>
> CC       = cc
> CPP      =
> FC       = mpif90
> LD       = mpif90
> AR       = ar -r
> DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK
> -D__FFTW3
> CPPFLAGS =
> FCFLAGS  = $(DFLAGS) -I$(INTEL_INC) -O3 -xW -heap-arrays 64 -funroll-loops
> -fpp -free
> FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -O1 -xW -heap-arrays 64 -fpp -free
> LDFLAGS  = $(FCFLAGS) -I$(INTEL_INC)
> LIBS     = $(INTEL_LIB)/libscalapack.a \
>            $(INTEL_LIB)/libblacs_init.a \
>            $(INTEL_LIB)/libblacs.a \
>            $(INTEL_LIB)/libacml.a\
>            $(INTEL_LIB)/libacml_mv.a \
>            $(INTEL_LIB)/libfftw3.a
>
> OBJECTS_ARCHITECTURE = machine_intel.o
>
>
> graphcon.o: graphcon.F
>     $(FC) -c $(FCFLAGS2) $<
>
>
> ######################################################################################################
>
>
>
>
> files in INTEL_LIB (/opt/intel/mkl//lib/intel64):
>
> #################################################################################
> libmkl_avx2.so
> libmkl_avx.so
> libmkl_blacs_ilp64.a
> libmkl_blacs_intelmpi_ilp64.a
> libmkl_blacs_intelmpi_ilp64.so
> libmkl_blacs_intelmpi_lp64.a
> libmkl_blacs_intelmpi_lp64.so
> libmkl_blacs_lp64.a
> libmkl_blacs_openmpi_ilp64.a
> libmkl_blacs_openmpi_lp64.a
> libmkl_blacs_sgimpt_ilp64.a
> libmkl_blacs_sgimpt_lp64.a
> libmkl_blas95_ilp64.a
> libmkl_blas95_lp64.a
> libmkl_cdft_core.a
> libmkl_cdft_core.so
> libmkl_core.a
> libmkl_core.so
> libmkl_def.so
> libmkl_gf_ilp64.a
> libmkl_gf_ilp64.so
> libmkl_gf_lp64.a
> libmkl_gf_lp64.so
> libmkl_gnu_thread.a
> libmkl_gnu_thread.so
> libmkl_intel_ilp64.a
> libmkl_intel_ilp64.so
> libmkl_intel_lp64.a
> libmkl_intel_lp64.so
> libmkl_intel_sp2dp.a
> libmkl_intel_sp2dp.so
> libmkl_intel_thread.a
> libmkl_intel_thread.so
> libmkl_lapack95_ilp64.a
> libmkl_lapack95_lp64.a
> libmkl_mc3.so
> libmkl_mc.so
> libmkl_p4n.so
> libmkl_pgi_thread.a
> libmkl_pgi_thread.so
> libmkl_rt.so
> libmkl_scalapack_ilp64.a
> libmkl_scalapack_ilp64.so
> libmkl_scalapack_lp64.a
> libmkl_scalapack_lp64.so
> libmkl_sequential.a
> libmkl_sequential.so
> libmkl_vml_avx2.so
> libmkl_vml_avx.so
> libmkl_vml_cmpt.so
> libmkl_vml_def.so
> libmkl_vml_mc2.so
> libmkl_vml_mc3.so
> libmkl_vml_mc.so
> libmkl_vml_p4n.so
> locale
>
> #################################################################################
>
>
> --
>
> ******************************************************************************
> WANG Riping
> Ph.D student,
> Institute for Study of the Earth's Interior,Okayama University,
> 827 Yamada, Misasa, Tottori-ken 682-0193, Japan
> Tel: +81-858-43-3739(Office), +81-858-43-1215(Inst)
> E-mail: wang.ri... at gmail.com
>
> ******************************************************************************
>
>
>
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