Hi,<div> You need to replace the names in arch file with names present in intel mkl directory. </div><div> </div><div>Like,</div><div> </div><div><div>LIBS = -L$(MKLROOT)/lib/intel64 $(MKLROOT)/lib/intel64/libmkl_blas95_lp64.a $(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a \</div> <div> -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -lfftw3xf_intel </div><div> </div><div>Wishes,</div> <div>Sandeep </div><div> </div> <div class="gmail_quote">On Mon, Oct 29, 2012 at 3:53 PM, Riping Wang <<a href="mailto:wang.ri...@gmail.com" target="_blank">wang.ri...@gmail.com</a>> wrote: <blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear Forum, I am installing cp2k: the parallel version popt with mpich2-1.5 and intel mkl. with command"make -j 12 ARCH=Linux-x86-64-intel VERSION=popt" But it can not find some lib, with error reports: ''' ... ifort: command line remark #10279: option '-xW' is deprecated and will be removed in a future release. See '-help deprecated' ifort: error #10236: File not found: '/opt/intel/mkl/lib/intel64/libscalapack.a' ifort: error #10236: File not found: '/opt/intel/mkl/lib/intel64/libblacs_init.a' ifort: error #10236: File not found: '/opt/intel/mkl/lib/intel64/libblacs.a' ifort: error #10236: File not found: '/opt/intel/mkl/lib/intel64/libacml.a' ifort: error #10236: File not found: '/opt/intel/mkl/lib/intel64/libacml_mv.a' ifort: error #10236: File not found: '/opt/intel/mkl/lib/intel64/libfftw3.a' ''' The content of installation file Linux-x86-64-intel.popt is appended bellow. I only add three lines on to the original file downloaded from web, without change anything else. These three lines are: ''' INTEL_MKL =/opt/intel/mkl INTEL_INC = $(INTEL_MKL)/include/fftw INTEL_LIB = $(INTEL_MKL)/lib/intel64 ''' I can not find files of libblacs_init.a, libscalapack.a and others on the directory of $INTEL_LIB (/opt/intel/mkl/lib/intel64/) on my machine. Instead, I find libmkl_blacs_intelmpi_ilp64.a, libmkl_scalapack_ilp64.a and some others with name slight different. I also attached the name of all the file contained in this $INTEL_LIB directory. Any one could give hints. Thank you very much. WANG Riping 2012.10.29 content in installation file Linux-x86-64-intel.popt: ###################################################################################################### # by default some intel compilers put temporaries on the stack # this might lead to segmentation faults is the stack limit is set to low # stack limits can be increased by sysadmins or e.g with ulimit -s 256000 # furthermore new ifort (10.0?) compilers support the option # -heap-arrays 64 # add this to the compilation flags is the other options do not work # The following settings worked for: # - AMD64 Opteron # - SUSE Linux Enterprise Server 10.0 (x86_64) # - Intel(R) Fortran Compiler for Intel(R) EM64T-based applications, Version 10.0.025 # - AMD acml library version 3.6.0 # - MPICH2-1.0.5p4 # - SCALAPACK library 1.8.0 # # INTEL_MKL =/opt/intel/mkl INTEL_INC = $(INTEL_MKL)/include/fftw INTEL_LIB = $(INTEL_MKL)/lib/intel64 CC = cc CPP = FC = mpif90 LD = mpif90 AR = ar -r DFLAGS = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTW3 CPPFLAGS = FCFLAGS = $(DFLAGS) -I$(INTEL_INC) -O3 -xW -heap-arrays 64 -funroll-loops -fpp -free FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -O1 -xW -heap-arrays 64 -fpp -free LDFLAGS = $(FCFLAGS) -I$(INTEL_INC) LIBS = $(INTEL_LIB)/libscalapack.a \ $(INTEL_LIB)/libblacs_init.a \ $(INTEL_LIB)/libblacs.a \ $(INTEL_LIB)/libacml.a\ $(INTEL_LIB)/libacml_mv.a \ $(INTEL_LIB)/libfftw3.a OBJECTS_ARCHITECTURE = machine_intel.o graphcon.o: graphcon.F $(FC) -c $(FCFLAGS2) $< ###################################################################################################### files in INTEL_LIB (/opt/intel/mkl//lib/intel64): ################################################################################# libmkl_avx2.so libmkl_avx.so libmkl_blacs_ilp64.a libmkl_blacs_intelmpi_ilp64.a libmkl_blacs_intelmpi_ilp64.so libmkl_blacs_intelmpi_lp64.a libmkl_blacs_intelmpi_lp64.so libmkl_blacs_lp64.a libmkl_blacs_openmpi_ilp64.a libmkl_blacs_openmpi_lp64.a libmkl_blacs_sgimpt_ilp64.a libmkl_blacs_sgimpt_lp64.a libmkl_blas95_ilp64.a libmkl_blas95_lp64.a libmkl_cdft_core.a libmkl_cdft_core.so libmkl_core.a libmkl_core.so libmkl_def.so libmkl_gf_ilp64.a libmkl_gf_ilp64.so libmkl_gf_lp64.a libmkl_gf_lp64.so libmkl_gnu_thread.a libmkl_gnu_thread.so libmkl_intel_ilp64.a libmkl_intel_ilp64.so libmkl_intel_lp64.a libmkl_intel_lp64.so libmkl_intel_sp2dp.a libmkl_intel_sp2dp.so libmkl_intel_thread.a libmkl_intel_thread.so libmkl_lapack95_ilp64.a libmkl_lapack95_lp64.a libmkl_mc3.so libmkl_mc.so libmkl_p4n.so libmkl_pgi_thread.a libmkl_pgi_thread.so libmkl_rt.so libmkl_scalapack_ilp64.a libmkl_scalapack_ilp64.so libmkl_scalapack_lp64.a libmkl_scalapack_lp64.so libmkl_sequential.a libmkl_sequential.so libmkl_vml_avx2.so libmkl_vml_avx.so libmkl_vml_cmpt.so libmkl_vml_def.so libmkl_vml_mc2.so libmkl_vml_mc3.so libmkl_vml_mc.so libmkl_vml_p4n.so locale ################################################################################# -- <div>****************************************************************************** WANG Riping Ph.D student, </div> <div>Institute for Study of the Earth's Interior,Okayama University, 827 Yamada, Misasa, Tottori-ken 682-0193, Japan Tel: +81-858-43-3739(Office), +81-858-43-1215(Inst)</div> <div>E-mail: <a href="mailto:wang.ri...@gmail.com" target="_blank">wang.ri...@gmail.com</a> ****************************************************************************** </div> -- 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" target="_blank">cp...@googlegroups.com</a>. To unsubscribe from this group, send email to <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">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>. </blockquote></div> </div>