Problem in cp2k installation: unrecognized command line -fpp

Marco synerg... at gmail.com
Sun Apr 20 04:00:29 UTC 2014


Try removing the '-heap-arrays 64 -fpp -free' compiler flags from the FCFLAGS 
and FCFLAGS2 options. The accepted compiler flags depend on the version of 
the compiler that you are using. You can check the Intel documentation for 
the specific version of the compiler that you are using to determine which 
optimization flags to include in your arch file.

On Wednesday, April 16, 2014 12:15:02 PM UTC-4, Kalpna Jain wrote:
>
> Dear sir,
> I am trying to install cp2k on my PC.
> First I have installed Intel fortran compiler with fftw3f bulid also.
> Then I installed openmpi 1.6.4 using
>  ./configure  cc=icc cxx=icpc f77=ifort --prefix="NAME OF DIRECTORY"
> make
> make install
>
> then I put the path of openmpi bin and lib in .bashrc file with the help 
> of echo command.
>
> When I tried to install cp2k,It is giving errors:
> no file or directory 64.
> unrecognized command line -heap arrays
> unrecognized command line -fpp
> unrecognized command line -free
>
> Can you suggest me the source of these errors.
>
> The arch file that I am using is below:
>
> CC       = cc
>
> CPP      = 
>
> FC       = mpif90 
>
> LD       = mpif90
>
> AR       = ar -r
>
> INTEL_MKL=/opt/intel/composer_xe_2011_sp1.8.273/mkl/
>
> INTEL_INC=$(INTEL_MKL)/include/fftw
>
> INTEL_LIB=$(INTEL_MKL)/lib/intel64
>
> DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK 
> -D__FFTW3
>
> CPPFLAGS = 
>
> FCFLAGS  = $(DFLAGS) -I$(INTEL_INC) -O3 -msse2 -heap-arrays 64 
> -funroll-loops -fpp -free
>
> FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -O1 -msse2 -heap-arrays 64 -fpp -free
>
> LDFLAGS  = $(FCFLAGS) -I$(INTEL_INC)
>
> LIBS     = -L$(INTEL_LIB) -lfftw3xf_gnu \
>
>            -L${INTEL_LIB} -I${INTEL_INC} -I${INTEL_INC}/intel64/lp64 
> -lmkl_blas95_lp64 \
>
>            -L${INTEL_LIB} -I${INTEL_INC} -I${INTEL_INC}/intel64/lp64 
> -lmkl_lapack95_lp64 \
>
>            ${INTEL_LIB}/libmkl_scalapack_lp64.a 
> ${INTEL_LIB}/libmkl_solver_lp64_sequential.a -Wl,--start-group 
> ${INTEL_LIB}/libmkl_intel_lp64.a ${INTEL_LIB}/libmkl_sequential.a 
> ${INTEL_LIB}/libmkl_core.a ${INTEL_LIB}/libmkl_blacs_intelmpi_lp64.a 
> ${INTEL_LIB}/libmkl_blacs_intelmpi_lp64.so -Wl,--end-group -lpthread
>
> OBJECTS_ARCHITECTURE = machine_intel.o
>
> graphcon.o: graphcon.F
>
>       $(FC) -c $(FCFLAGS2) $<
>
> qs_vxc_atom.o: qs_vxc_atom.F
>       $(FC) -c $(FCFLAGS2) $<
>
>
> Thanking you,
> Kalpna Jain
>
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