<div dir="ltr">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：<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">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: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="gemfLzDCAgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">iain...@stfc.ac.uk</a> 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 <<a href="javascript:" target="_blank" gdf-obfuscated-mailto="gemfLzDCAgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">jts2...@gmail.com</a>> 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. > > > > > > > -- > You received this message because you are subscribed to the Google Groups "cp2k" group. > To unsubscribe from this group and stop receiving emails from it, send an email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="gemfLzDCAgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp2k+uns...@googlegroups.com</a>. > To post to this group, send email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="gemfLzDCAgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>. > Visit this group at <a href="https://groups.google.com/group/cp2k" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/group/cp2k';return true;" onclick="this.href='https://groups.google.com/group/cp2k';return true;">https://groups.google.com/group/cp2k</a>. > For more options, visit <a href="https://groups.google.com/d/optout" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/d/optout';return true;" onclick="this.href='https://groups.google.com/d/optout';return true;">https://groups.google.com/d/optout</a>. </blockquote></div>