[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]

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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