[CP2K:10143] Some problem during compiling cp2k-4.1 using intel compiler

[Tianshu Jiang in Beijing]

Thanks for your advice, the original error disappear. But there comes the 
new "can't find library" error. Maybe there is some problem in setting of 
my system.

在 2018年4月6日星期五 UTC+8下午8:40:17，IBethune写道：
>
> There is a typo in your arch file:  It should be “-Wl” (lower case l) not 
> “-WI” (upper case I). 
>
> - Iain 
>
> -- 
>
> Iain Bethune 
> Technical Programme Manager, STFC Hartree Centre 
>
> Email: iain... at stfc.ac.uk <javascript:> 
> Twitter: @IainBethune @PrimeGrid @CP2Kproject 
>
> Tel: +44 (0)1925 603735 
> Mob: +44 (0)7598317015 
> Addr: Hartree Centre, Sci-Tech Daresbury, Keckwick​,​ Warrington, WA4 4AD 
>
> > On 6 Apr 2018, at 13:11, Tianshu Jiang in Beijing <jts2... at gmail.com 
> <javascript:>> wrote: 
> > 
> > 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 
> -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel 
> -D__SCALAPACK -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/src/eri_mme/eri_mme_lattice_summation.F 
> > 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-1.1.4/include 
>
> > 
> > LIBINT_LIB = 
> /share/home/tshjiang/intel_cp2k/tools/toolchain/install/libint-1.1.4/lib 
> > LIBXC_INC  = 
> /share/home/tshjiang/intel_cp2k/tools/toolchain/install/libxc-2.2.2/include 
> > LIBXC_LIB  = 
> /share/home/tshjiang/intel_cp2k/tools/toolchain/install/libxc-2.2.2/lib 
> > DFLAGS     = -D__MKL -D__FFTW3 -D__LIBINT -D__LIBXC2 -D__MPI_VERSION=3\ 
> >              -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4\ 
> >              -D__parallel -D__SCALAPACK 
> > CFLAGS     = $(DFLAGS) 
> > CPPFLAGS   = 
> > 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) -I$(LIBXC_INC) 
> > FCFLAGS2   = $(DFLAGS) -O0 -g -traceback -fpp -free \ 
> >              -I$(MKLROOT)/include -I$(MKLROOT)/include/fftw 
> -I$(LIBINT_INC) -I$(LIBXC_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++ 
> > mp2_optimize_ri_basis.o:mp2_optimize_ri_basis.F 
> >         $(FC) -c $(FCFLAGS2) $< 
> > hfx_contraction_methods.o:hfx_contraction_methods.F 
> >         $(FC) -c $(FCFLAGS2) $< 
> > 
> > Can anyone encounter the similar situation and give some advice. 
> > I will be appreciated for your suggestion. 
> > 
> > 
> > 
> > 
> > 
> > 
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