[CP2K:4135] installation error for intel mkl: can not find libblacs.a

Riping Wang wang.ri... at gmail.com
Wed Oct 31 09:17:27 UTC 2012
Previous message (by thread): [CP2K:4134] installation error for intel mkl: can not find libblacs.a
Next message (by thread): Calculating empty orbitals
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]
Dear Sandeep,

I have to say I thank you very much for your help.

I check the file of mpif90 in my machine, the fortran compiler is ifort.
I did not install gfortran on my Fedroa.
So its ok.
But I care this issue in future.

Best wishes to you.

WANG Riping
2012.10.31



On 30 October 2012 18:22, Sandeep Kumar Reddy <kuma... at gmail.com> wrote:

> 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
>>>>>>
>>>>>> ******************************************************************************
>>>>>>
>>>>>>
>>>>>>
>>>>>>  --
>>>>>> You received this message because you are subscribed to the Google
>>>>>> Groups "cp2k" group.
>>>>>> To post to this group, send email to cp... at googlegroups.com.
>>>>>> To unsubscribe from this group, send email to
>>>>>> cp2k+uns... at googlegroups.com.
>>>>>> For more options, visit this group at
>>>>>> http://groups.google.com/group/cp2k?hl=en.
>>>>>>
>>>>>
>>>>>  --
>>>>> You received this message because you are subscribed to the Google
>>>>> Groups "cp2k" group.
>>>>> To post to this group, send email to cp... at googlegroups.com.
>>>>> To unsubscribe from this group, send email to
>>>>> cp2k+uns... at googlegroups.com.
>>>>> For more options, visit this group at
>>>>> http://groups.google.com/group/cp2k?hl=en.
>>>>>
>>>>
>>>>
>>>>
>>>> --
>>>>
>>>> ******************************************************************************
>>>> 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
>>>>
>>>> ******************************************************************************
>>>>
>>>>
>>>>
>>>>  --
>>>> You received this message because you are subscribed to the Google
>>>> Groups "cp2k" group.
>>>> To post to this group, send email to cp... at googlegroups.com.
>>>> To unsubscribe from this group, send email to
>>>> cp2k+uns... at googlegroups.com.
>>>> For more options, visit this group at
>>>> http://groups.google.com/group/cp2k?hl=en.
>>>>
>>>
>>>  --
>>> You received this message because you are subscribed to the Google
>>> Groups "cp2k" group.
>>> To post to this group, send email to cp... at googlegroups.com.
>>> To unsubscribe from this group, send email to
>>> cp2k+uns... at googlegroups.com.
>>> For more options, visit this group at
>>> http://groups.google.com/group/cp2k?hl=en.
>>>
>>
>>
>>
>> --
>>
>> ******************************************************************************
>> 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
>>
>> ******************************************************************************
>>
>>
>>
>>  --
>> You received this message because you are subscribed to the Google Groups
>> "cp2k" group.
>> To post to this group, send email to cp... at googlegroups.com.
>> To unsubscribe from this group, send email to
>> cp2k+uns... at googlegroups.com.
>> For more options, visit this group at
>> http://groups.google.com/group/cp2k?hl=en.
>>
>
>  --
> You received this message because you are subscribed to the Google Groups
> "cp2k" group.
> To post to this group, send email to cp... at googlegroups.com.
> To unsubscribe from this group, send email to
> cp2k+uns... at googlegroups.com.
> For more options, visit this group at
> http://groups.google.com/group/cp2k?hl=en.
>



-- 
******************************************************************************
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
******************************************************************************
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20121031/37a75e72/attachment.htm>
Previous message (by thread): [CP2K:4134] installation error for intel mkl: can not find libblacs.a
Next message (by thread): Calculating empty orbitals
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]
More information about the CP2K-user mailing list