Parallel CP2K installation using MKL

권대운 daeu... at
Mon Mar 21 09:33:40 UTC 2016

Hello all,

I am trying to install CP2K using the Intel MKL library.But it does not 
make progress in this area still does not ask for help.

I work is this:

1. 'Linux-x86-64-intel.ppt' content editing.
Edits are as follows:

CC         = icc
CPP       = cpp
FC         = ifort -FR
FC_fixed = ifort -FI
LD         = ifort
AR         = ar -r

INTEL_MKL  = /opt/intel/mkl
INTEL_INC  = $(INTEL_MKL)/include/fftw
INTEL_LIB  = $(INTEL_MKL)/lib/intel64

DFLAGS     = -D__INTEL -D__FFTSG -D__parallel -D__FFTW3
CPPFLAGS   = -traditional -C $(DFLAGS) -P
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
LIBS     = -L$(INTEL_LIB) -lfftw3xf_intel \
               -L${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_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_openmpi_lp64.a 
-Wl,--end-group -lpthread

OBJECTS_ARCHITECTURE = machine_intel.o

2. cd ~ / [CP2K folder] / makefile /

3. make -j 4 ARCH = Linux-x86-64-intel VERSION = popt
Proceed as above, but an error message is generated.
Error contents are as follows:

/tmp/ifortVI9rVw.i90(17928): catastrophic error: Too many errors, exiting
compilation aborted for message_passing.f90 (code 1)
make[3]: *** [message_passing.o] Error 1
make[3]: *** Waiting for unfinished jobs....
make[2]: *** [all] Error 2
make[1]: *** [popt] Error 2
make: *** [all] Error 2

that's all

What Did I do wrong??

Thank you
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