Problem in cp2k installation: unrecognized command line -fpp
Kalpna Jain
kalpna... at gmail.com
Wed Apr 16 16:15:02 UTC 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
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