Some problem during compiling cp2k-4.1 using intel compiler

Tianshu Jiang in Beijing jts2t... at
Fri Apr 6 12:11:56 UTC 2018

Dear all, 

I have been compiling cp2k-4.1 using intel compiler for several days but 
there is always problems.
I edit both Linux-x86-64-gfortran.psmp and Linux-x86-64-intel-mic.psmp file 
according to the tutorial searched from the internet.
But in my latest trial, the beginning is OK, then the error emerge. 
The compiling environment is on our cluster, the version of Intel compiler 
is 17.0.1, libint 1.1.4 and libxc 2.2.2.
The error information is as follows

mpiifort -c -D__MKL -D__FFTW3 -D__LIBINT -D__LIBXC2 -D__MPI_VERSION=3 -
-O2 -g -traceback -fpp -free -I/soft/intel_2017/compilers_and_libraries_2017
/linux/mkl/include -I/soft/intel_2017/compilers_and_libraries_2017/linux/mkl
/include/fftw -I/share/home/tshjiang/intel_cp2k/tools/toolchain/install/
libint-1.1.4/include -I/share/home/tshjiang/intel_cp2k/tools/toolchain/
install/libxc-2.2.2/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -
D__COMPILE_DATE="\"Fri Apr  6 19:45:36 CST 2018\"" -D__COMPILE_HOST=
"\"ln02\"" -D__COMPILE_REVISION="\"svn:17462\"" -D__DATA_DIR=
"\"/share/home/tshjiang/intel_cp2k/data\"" -D__SHORT_FILE__=
"\"eri_mme/eri_mme_lattice_summation.F\"" /share/home/tshjiang/intel_cp2k/
ld: group ended before it began (--help for usage)
make[3]: *** [/share/home/tshjiang/intel_cp2k/exe/Linux-x86-64-gfortran/
graph.psmp] Error 1
make[3]: *** Waiting for unfinished jobs....
make[2]: *** [all] Error 2
make[1]: *** [psmp] Error 2
make: *** [all] Error 

I even can not figure out where is the error. The command of make is:

make -j 8 ARCH=Linux-x86-64-gfortran VERSION=psmp

the arch file looks like

# Tested with: GFortran 4.9.2, MPICH 3.1, LAPACK 3.5.0, ScaLAPACK 2.0.2
CC         = icc
CPP        =
FC         = mpiifort
LD         = mpiifort
AR         = ar -r

LIBINT_INC = /share/home/tshjiang/intel_cp2k/tools/toolchain/install/libint-

LIBINT_LIB = /share/home/tshjiang/intel_cp2k/tools/toolchain/install/libint-
LIBXC_INC  = /share/home/tshjiang/intel_cp2k/tools/toolchain/install/libxc-
LIBXC_LIB  = /share/home/tshjiang/intel_cp2k/tools/toolchain/install/libxc-
             -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4\
             -D__parallel -D__SCALAPACK
MKLROOT    = /soft/intel_2017/compilers_and_libraries_2017/linux/mkl
FCFLAGS    = $(DFLAGS) -O2 -g -traceback -fpp -free \
             -I$(MKLROOT)/include -I$(MKLROOT)/include/fftw -I$(LIBINT_INC) 
FCFLAGS2   = $(DFLAGS) -O0 -g -traceback -fpp -free \
             -I$(MKLROOT)/include -I$(MKLROOT)/include/fftw -I$(LIBINT_INC) 
LDFLAGS    = $(FCFLAGS) -static-intel
LDFLAGS_C  = $(FCFLAGS) -static-intel -nofor_main
LIBS       = $(MKLROOT)/lib/intel64/libmkl_scalapack_lp64.a \
             -WI,--start-group $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a \
             $(MKLROOT)/lib/intel64/libmkl_sequential.a \
             $(MKLROOT)/lib/intel64/libmkl_core.a \
             $(MKLROOT)/lib/intel64/libmkl_blacs_intelmpi_lp64.a -Wl,--end-
group \
             -lpthread -lm \
             -L$(LIBXC_LIB) -lxcf90 -lxc \
             $(LIBINT_LIB)/libderiv.a \
             $(LIBINT_LIB)/libint.a -lstdc++
        $(FC) -c $(FCFLAGS2) $<
        $(FC) -c $(FCFLAGS2) $<

Can anyone encounter the similar situation and give some advice. 
I will be appreciated for your suggestion.

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