[CP2K:2722] Re: There is an error: ld: cannot find libmkl_intel_lp64.a. But i have linked this library in Linux-x86-64-intel.sopt

Jen-Chang Chen jencha... at gmail.com
Mon May 17 16:27:28 CEST 2010


Hi, Jinyd,
Here is my makefile for cp2k.
My software environment is SLES 10 SP2, Intel Fortran 10.1.022 and Intel MKL
10.1.2.024.
Please compile "fftw3xf" at first. (See "mkl/10.1.2.024/interfaces/fftw3xf"
for details.

INTEL_INC = /opt/intel/mkl/10.1.2.024/include/fftw
CC       = cc
##CPP      = cc
FC       = ifort
LD       = ifort
AR       = ar -r
DFLAGS   = -D__INTEL -D__FFTSG -D__FFTW3 -D__FFTMKL
CPPFLAGS = -C -traditional $(DFLAGS) -I$(INTEL_INC)
FCFLAGS  = $(DFLAGS) -I$(INTEL_INC) -O3 -heap-arrays 64 -funroll-loops -fpp
-free
FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -O1 -heap-arrays 64 -fpp -free
LDFLAGS  = $(FCFLAGS)
LIBS     = -L/opt/intel/mkl/10.1.2.024/lib/em64t -lmkl_core -lmkl_sequential
-lfftw3xf_intel -lmkl_intel_lp64

OBJECTS_ARCHITECTURE = machine_intel.o


graphcon.o: graphcon.F
        $(FC) -c $(FCFLAGS2) $<

Best regards,
James

2010/5/16 jinyd <jinyd... at gmail.com>

> I compileed cp2k again ,but with gfortran instead of  ifort. And the
> ARCH file is posted below.
> Then i got some strange errors:
>
> In file /home/jinyd/cp2k/cp2k/makefiles/../src/lib/fftw3_lib.F:423
>
> zin_ptr => zin(in_offset)
>         1
> Error: The upper bound in the last dimension of the assumed_size array
> on the rhs of the pointer assignment at (1) must be set
> In file /home/jinyd/cp2k/cp2k/makefiles/../src/lib/fftw3_lib.F:424
>
> zout_ptr => zout(out_offset)
>          1
> Error: The upper bound in the last dimension of the assumed_size array
> on the rhs of the pointer assignment at (1) must be set
> In file /home/jinyd/cp2k/cp2k/makefiles/../src/lib/fftw3_lib.F:425
>
> zscal_ptr => zout(scal_offset)
>           1
> Error: The upper bound in the last dimension of the assumed_size array
> on the rhs of the pointer assignment at (1) must be set
>
>
>
>
> Linux-x86-64-gfortran.sopt
>> CC       = cc
> CPP      =
>
> FC       = gfortran
> LD       = gfortran
>
> AR       = ar -r
>
> CPPFLAGS =
> DFLAGS   = -D__GFORTRAN -D__FFTSG -D__FFTW3 -D_LIBINT
> FCFLAGS  = -O2 -ffast-math -funroll-loops -ftree-vectorize -
> march=x86-64 -ffree-form $(DFLAGS)\
>          -I /opt/fftw3/include
> LDFLAGS  = $(FCFLAGS)
> LIB = /usr/lib/liblapack.a \
>     /usr/lib/libblas.a \
>     /opt/fftw3_alpha_gcc/lib/libfftw3.a \
>      /opt/libint/lib/libint.a \
>      /opt/libint/lib/libderiv.a \
>     -llapack -lblas -lfftw3
> #LIBS     = -llapack -lblas -lfftw3
>
> OBJECTS_ARCHITECTURE = machine_gfortran.o
>
> Thank you for your help.
>
>
> On 5月16日, 下午5时22分, jinyd <jinyd... at gmail.com> wrote:
> > Dear all:
> > There is an error: ld: cannot find libmkl_intel_lp64.a when i compile
> > cp2k.
> > But i have added this libarary in LIBS. And there is
> > "libmkl_intel_lp64.a" file  in my directory $INTEL_LIB=$(INTEL_MKL)/
> > lib/em64t/.
> > So why? And what can i do now?
> >
> > My arch file is  in this form:
> >
> > INTEL_MKL=/opt/intel/Compiler/11.0/081/mkl
> > INTEL_INC=$(INTEL_MKL)/include/fftw
> > INTEL_LIB=$(INTEL_MKL)/lib/em64t
> >
> > CC       = cc
> > CPP      =
> > FC       = ifort
> > LD       = ifort
> > AR       = ar -r
> >
> > DFLAGS   = -D__INTEL -D__FFTSG -D__FFTW3 -D_FFTMKL -D_LIBINT
> > CPPFLAGS = -C -traditional $(DFLAGS) -I$(INTEL_INC)
> > FCFLAGS  = $(DFLAGS) -O2 -xW -heap-arrays 64 -fpp -free \
> >            -I/opt/intel/mkl/10.1.1.019/include/fftw
> > FCFLAGS2 = $(DFLAGS) -O1 -xW -heap-arrays 64 -fpp -free \
> >            -I$(INTEL_MKL)/include \
> >            -I/opt/intel/mkl/10.1.1.019/include/fftw
> >
> > LDFLAGS  = $(FCFLAGS)
> > LIBS     = $(INTEL_LIB)/libmkl_lapack.a \
> >            $(INTEL_LIB)/libmkl_em64t.a \
> >            $(INTEL_LIB)/libmkl_intel_lp64.a \
> >            $(INTEL_LIB)/libguide.a  \
> >            /home/jinyd/cp2k/cp2k/tools/hfx_tools/libint_tools/
> > libint_cpp_wrapper.o \
> >            /opt/libint/lib/libderiv.a \
> >            /opt/libint/lib/libint.a \
> >            /opt/fftw3/lib/libfftw3.a \
> >            -lmkl_lapack -lguide -lmkl -lpthread -lstdc++
> >
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