Hi, Jinyd, Here is my makefile for cp2k. My software environment is SLES 10 SP2, Intel Fortran 10.1.022 and Intel MKL 10.1.2.024. Please compile "fftw3xf" at first. (See "mkl/<a href="http://10.1.2.024/interfaces/fftw3xf">10.1.2.024/interfaces/fftw3xf</a>" for details. INTEL_INC = /opt/intel/mkl/<a href="http://10.1.2.024/include/fftw">10.1.2.024/include/fftw</a> CC = cc ##CPP = cc FC = ifort LD = ifort AR = ar -r DFLAGS = -D__INTEL -D__FFTSG -D__FFTW3 -D__FFTMKL CPPFLAGS = -C -traditional $(DFLAGS) -I$(INTEL_INC) FCFLAGS = $(DFLAGS) -I$(INTEL_INC) -O3 -heap-arrays 64 -funroll-loops -fpp -free FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -O1 -heap-arrays 64 -fpp -free LDFLAGS = $(FCFLAGS) LIBS = -L/opt/intel/mkl/<a href="http://10.1.2.024/lib/em64t">10.1.2.024/lib/em64t</a> -lmkl_core -lmkl_sequential -lfftw3xf_intel -lmkl_intel_lp64 OBJECTS_ARCHITECTURE = machine_intel.o graphcon.o: graphcon.F $(FC) -c $(FCFLAGS2) $< Best regards, James <div class="gmail_quote">2010/5/16 jinyd <<a href="mailto:jinyd...@gmail.com">jinyd...@gmail.com</a>> <blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"> I compileed cp2k again ,but with gfortran instead of ifort. And the ARCH file is posted below. Then i got some strange errors: In file /home/jinyd/cp2k/cp2k/makefiles/../src/lib/fftw3_lib.F:423 zin_ptr => zin(in_offset) 1 Error: The upper bound in the last dimension of the assumed_size array on the rhs of the pointer assignment at (1) must be set In file /home/jinyd/cp2k/cp2k/makefiles/../src/lib/fftw3_lib.F:424 zout_ptr => zout(out_offset) 1 Error: The upper bound in the last dimension of the assumed_size array on the rhs of the pointer assignment at (1) must be set In file /home/jinyd/cp2k/cp2k/makefiles/../src/lib/fftw3_lib.F:425 zscal_ptr => zout(scal_offset) 1 Error: The upper bound in the last dimension of the assumed_size array on the rhs of the pointer assignment at (1) must be set Linux-x86-64-gfortran.sopt ： CC = cc CPP = FC = gfortran LD = gfortran AR = ar -r CPPFLAGS = DFLAGS = -D__GFORTRAN -D__FFTSG -D__FFTW3 -D_LIBINT FCFLAGS = -O2 -ffast-math -funroll-loops -ftree-vectorize - march=x86-64 -ffree-form $(DFLAGS)\ -I /opt/fftw3/include LDFLAGS = $(FCFLAGS) LIB = /usr/lib/liblapack.a \ /usr/lib/libblas.a \ /opt/fftw3_alpha_gcc/lib/libfftw3.a \ <div class="im"> /opt/libint/lib/libint.a \ </div> /opt/libint/lib/libderiv.a \ -llapack -lblas -lfftw3 #LIBS = -llapack -lblas -lfftw3 OBJECTS_ARCHITECTURE = machine_gfortran.o Thank you for your help. <div><div></div><div class="h5"> On 5月16日, 下午5时22分, jinyd <<a href="mailto:jinyd...@gmail.com">jinyd...@gmail.com</a>> wrote: > Dear all: > There is an error: ld: cannot find libmkl_intel_lp64.a when i compile > cp2k. > But i have added this libarary in LIBS. And there is > "libmkl_intel_lp64.a" file in my directory $INTEL_LIB=$(INTEL_MKL)/ > lib/em64t/. > So why? And what can i do now? > > My arch file is in this form: > > INTEL_MKL=/opt/intel/Compiler/11.0/081/mkl > INTEL_INC=$(INTEL_MKL)/include/fftw > INTEL_LIB=$(INTEL_MKL)/lib/em64t > > CC = cc > CPP = > FC = ifort > LD = ifort > AR = ar -r > > DFLAGS = -D__INTEL -D__FFTSG -D__FFTW3 -D_FFTMKL -D_LIBINT > CPPFLAGS = -C -traditional $(DFLAGS) -I$(INTEL_INC) > FCFLAGS = $(DFLAGS) -O2 -xW -heap-arrays 64 -fpp -free \ > -I/opt/intel/mkl/<a href="http://10.1.1.019/include/fftw" target="_blank">10.1.1.019/include/fftw</a> > FCFLAGS2 = $(DFLAGS) -O1 -xW -heap-arrays 64 -fpp -free \ > -I$(INTEL_MKL)/include \ > -I/opt/intel/mkl/<a href="http://10.1.1.019/include/fftw" target="_blank">10.1.1.019/include/fftw</a> > > LDFLAGS = $(FCFLAGS) > LIBS = $(INTEL_LIB)/libmkl_lapack.a \ > $(INTEL_LIB)/libmkl_em64t.a \ > $(INTEL_LIB)/libmkl_intel_lp64.a \ > $(INTEL_LIB)/libguide.a \ > /home/jinyd/cp2k/cp2k/tools/hfx_tools/libint_tools/ > libint_cpp_wrapper.o \ > /opt/libint/lib/libderiv.a \ > /opt/libint/lib/libint.a \ > /opt/fftw3/lib/libfftw3.a \ > -lmkl_lapack -lguide -lmkl -lpthread -lstdc++ > > -- > You received this message because you are subscribed to the Google Groups "cp2k" group. > To post to this group, send email to <a href="mailto:cp...@googlegroups.com">cp...@googlegroups.com</a>. > To unsubscribe from this group, send email to <a href="mailto:cp2k%2Bun...@googlegroups.com">cp2k+uns...@googlegroups.com</a>. </div></div>> For more options, visit this group athttp://<a href="http://groups.google.com/group/cp2k?hl=en" target="_blank">groups.google.com/group/cp2k?hl=en</a>. <div><div></div><div class="h5"> -- You received this message because you are subscribed to the Google Groups "cp2k" group. To post to this group, send email to <a href="mailto:cp...@googlegroups.com">cp...@googlegroups.com</a>. To unsubscribe from this group, send email to <a href="mailto:cp2k%2Bun...@googlegroups.com">cp2k+uns...@googlegroups.com</a>. For more options, visit this group at <a href="http://groups.google.com/group/cp2k?hl=en" target="_blank">http://groups.google.com/group/cp2k?hl=en</a>. </div></div></blockquote></div> -- You received this message because you are subscribed to the Google Groups "cp2k" group. To post to this group, send email to cp...@googlegroups.com. To unsubscribe from this group, send email to cp2k+uns...@googlegroups.com. For more options, visit this group at http://groups.google.com/group/cp2k?hl=en.