<div dir="ltr">Dear All sorry for the not really interesting post but since this morning I am struggling trying to have CP2K compiled with libxsmm. I managed to have it compiled with mkl, and fftw but somehow I cannot figure out what I am doing wrong with libxsmm, I tried several configuration but I am lost Below my last arch file attempt, as you can see I also tried to put the path explicitly but still I am obtain this error: /ichec/home/users/davide/scr/cp2k/cp2k/lib/test/xsmm/libdbcsrmm.a(dbcsr_mm_hostdrv.o): In function `dbcsr_mm_hostdrv_mp_dbcsr_mm_hostdrv_process_': dbcsr_mm_hostdrv.f90:(.text+0x1c40): undefined reference to `libxsmm_mp_libxsmm_dmmdispatch_' dbcsr_mm_hostdrv.f90:(.text+0x1c64): undefined reference to `libxsmm_mp_libxsmm_dmmavailable_' dbcsr_mm_hostdrv.f90:(.text+0x1d28): undefined reference to `libxsmm_mp_libxsmm_dmmcall_' dbcsr_mm_hostdrv.f90:(.text+0x1d9a): undefined reference to `libxsmm_mp_libxsmm_dmmcall_' dbcsr_mm_hostdrv.f90:(.text+0x1fc0): undefined reference to `libxsmm_mp_libxsmm_dgemm_' dbcsr_mm_hostdrv.f90:(.text+0x616d): undefined reference to `libxsmm_mp_libxsmm_smmdispatch_' dbcsr_mm_hostdrv.f90:(.text+0x6191): undefined reference to `libxsmm_mp_libxsmm_smmavailable_' dbcsr_mm_hostdrv.f90:(.text+0x624e): undefined reference to `libxsmm_mp_libxsmm_smmcall_' dbcsr_mm_hostdrv.f90:(.text+0x62bd): undefined reference to `libxsmm_mp_libxsmm_smmcall_' dbcsr_mm_hostdrv.f90:(.text+0x64d7): undefined reference to `libxsmm_mp_libxsmm_sgemm_' /ichec/home/users/davide/scr/cp2k/cp2k/lib/test/xsmm/libdbcsrmm.a(dbcsr_mm_hostdrv.o): In function `dbcsr_mm_hostdrv_mp_xsmm_process_mm_stack_d_': dbcsr_mm_hostdrv.f90:(.text+0xcd0a): undefined reference to `libxsmm_mp_libxsmm_dmmdispatch_' dbcsr_mm_hostdrv.f90:(.text+0xcd18): undefined reference to `libxsmm_mp_libxsmm_dmmavailable_' dbcsr_mm_hostdrv.f90:(.text+0xcdc4): undefined reference to `libxsmm_mp_libxsmm_dmmcall_' dbcsr_mm_hostdrv.f90:(.text+0xce20): undefined reference to `libxsmm_mp_libxsmm_dmmcall_' dbcsr_mm_hostdrv.f90:(.text+0xd046): undefined reference to `libxsmm_mp_libxsmm_dgemm_' /ichec/home/users/davide/scr/cp2k/cp2k/lib/test/xsmm/libdbcsrmm.a(dbcsr_mm_hostdrv.o): In function `dbcsr_mm_hostdrv_mp_xsmm_process_mm_stack_s_': dbcsr_mm_hostdrv.f90:(.text+0xe8fa): undefined reference to `libxsmm_mp_libxsmm_smmdispatch_' dbcsr_mm_hostdrv.f90:(.text+0xe908): undefined reference to `libxsmm_mp_libxsmm_smmavailable_' dbcsr_mm_hostdrv.f90:(.text+0xe9b4): undefined reference to `libxsmm_mp_libxsmm_smmcall_' dbcsr_mm_hostdrv.f90:(.text+0xea10): undefined reference to `libxsmm_mp_libxsmm_smmcall_' dbcsr_mm_hostdrv.f90:(.text+0xec36): undefined reference to `libxsmm_mp_libxsmm_sgemm_' make[3]: *** [/ichec/home/users/davide/scr/cp2k/cp2k/exe/test/dbcsr_example_1.xsmm] Error 1 which if I am not wrong it means the compiler cannot find the library. Just to be sure it was not related to xsmm version I tried with v1.1, v1.3, v1.7 and this 1.6 I feel a bit stupid at the moment :-S Can anyone help? Cheers Davide #Define the correct path for the different variables MKL=/ichec/packages/intel/2015.u3/composer_xe_2015.3.187/mkl FFTW=/ichec/packages/fftw/intel_mpi/3.3.4 LIBXSMM=/ichec/home/users/davide/lib/libxsmm.git/tags/1.1 #Define the compilers CC = icc CPP = /lib/cpp FC = mpiifort FC_fixed = mpiifort LD = mpiifort AR = /usr/bin/ar -r #Modify the flags as reqired DFLAGS = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTW3 \ -D__LIBXSMM CPPFLAGS = -C $(DFLAGS) -P -traditional -I$(FFTW)/include/ FCFLAGS = -O2 -pc64 -unroll -heap-arrays 64 -I$(FFTW)/include -I$(LIBXSMM)/include #verify if the path to the libraries is correct LDFLAGS = $(FCFLAGS) -L$(MKL)/lib/intel64 -L$(FFTW)/lib -L$(LIBXSMM)/lib LDFLAGS_C = $(LDFLAGS) -nofor_main #What Libraries LIBS = -mkl -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lmkl_intel_lp64 \ -lmkl_intel_thread -lmkl_core -lm -lpthread -lfftw3 \ /ichec/home/users/davide/lib/libxsmm.git/tags/1.6/lib/libxsmm.a #Not sure what this does but it won't hurt OBJECTS_ARCHITECTURE = machine_intel.o as you can see I </div>