[CP2K:4133] installation error for intel mkl: can not find libblacs.a

Riping Wang wang.ri... at gmail.com
Tue Oct 30 09:46:00 CET 2012


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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