[CP2K:4132] installation error for intel mkl: can not find libblacs.a

Sandeep Kumar Reddy kuma... at gmail.com
Tue Oct 30 09:07:26 CET 2012


Hi,
     You need to install -lfftw3xf_intel library.

please go to $MKL_ROOT/interfaces/fftw3xf

then type  :    make  libintel64  compiler=intel

It will create a library libfftw3xf_intel.a.   Please link this to
 $MKL_ROOT/lib/intel64


That's all. Recompile the code. you will get the executable.

Note: As many people say, successful compilation doesn't mean you have the
correct executable. You should run test files and check.

Wishes,
Sandeep



On Tue, Oct 30, 2012 at 1:09 PM, Riping Wang <wang.ri... at gmail.com>wrote:

> Dear Sandeep,
>
> Following your instructions, I succeed to install cp2k with intel mkl.
> I am very happy. Thank you very much to you.
>
> One small issue:
> I commented out -lfftw3xf_intel you told me for LIB,
> otherwise error occur as it can not find fftw3.
> When I commented it out, the installation goes well.
> Maybe this is due to the version of mkl.
> Mine is l_mkl_11.0.1.117.
> I appended the input for installation bellow, as a workable example.
>
>
> Yours
> WANG Riping
> 2012.10.30
>
>
>
> A workable input file for installation with ifort+intel_mkl+mpich2:
> ###############################################################
>
> 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 =  -L$(INTEL_LIB)  $(INTEL_LIB)/libmkl_blas95_lp64.a
> $(INTEL_LIB)/libmkl_lapack95_lp64.a \
> -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
> -lmkl_blacs_intelmpi_lp64 -lpthread -lm #-lfftw3xf_intel
>
> OBJECTS_ARCHITECTURE = machine_intel.o
>
> graphcon.o: graphcon.F
>     $(FC) -c $(FCFLAGS2) $<
> ###############################################################
>
>
>
> On 29 October 2012 19:58, Sandeep Kumar Reddy <kuma... at gmail.com> wrote:
>
>> Hi,
>>     You need to replace the names in arch file with names present in
>> intel mkl directory.
>>
>> Like,
>>
>> LIBS =  -L$(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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>
>
>
> --
>
> ******************************************************************************
> 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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