Problem in cp2k installation: unrecognized command line -fpp

Kalpna Jain kalpna... at gmail.com
Wed Apr 16 18:15:02 CEST 2014


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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20140416/9d41e474/attachment.html>


More information about the CP2K-user mailing list