[CP2K:4134] installation error for intel mkl: can not find libblacs.a

Sandeep Kumar Reddy kuma... at gmail.com
Tue Oct 30 09:22:30 UTC 2012
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Hi,
    Just now, I realized that you are using  mpif90 which by default uses
gfortran, not ifort.  If it is not what you wanted, you
can use mpiifort which uses ifort.

-Sandeep



On Tue, Oct 30, 2012 at 2:16 PM, Riping Wang <wang.ri... at gmail.com>wrote:

> Dear Sandeep,
>
> I followed you instruction to install fftw3xf and active the LIB
> -lfftw3xf_intel.
> It is working now.
>
> Thank you very much for all the help.
>
> Again I appened the new input as bellow.
>
>
> 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 30 October 2012 17:07, Sandeep Kumar Reddy <kuma... at gmail.com> wrote:
>
>> 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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>>>>>
>>>>
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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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>>
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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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