--- src/MAKE/Makefile.mkl.orig 2013-10-30 16:23:31.000000000 +0100 +++ src/MAKE/Makefile.mkl 2015-10-05 16:31:51.536587315 +0200 @@ -2,7 +2,7 @@ # Intel recommends Intel Cluster Tools Compiler Edition # to build libfftw2xc_intel.a: -# > cd /opt/intel/mkl/10.0.011/interfaces/fftw2xc +# > cd /apps/intel/composer_xe_2013.5.192/mkl/interfaces/fftw2xc # > become root via su # > gmake libem64t @@ -12,14 +12,21 @@ # compiler/linker settings # specify flags and libraries needed for your compiler +INTEL_MKL = $(EBROOTIMKL)/mkl +INTEL_MKL_INC = $(INTEL_MKL)/include +INTEL_MKL_LIB = $(INTEL_MKL)/lib/intel64 +INTEL = $(EBROOTICC) +INTEL_INC = $(INTEL)/include +INTEL_LIB = $(INTEL)/lib/intel64 + CC = mpiicc -CCFLAGS = -O3 -fno-alias -ip -unroll0 +CCFLAGS = -O3 -fno-alias -ip -unroll0 -xHost SHFLAGS = -fPIC DEPFLAGS = -M LINK = mpiicc -LINKFLAGS = -O -L/opt/intel/mkl/10.0.011/lib/em64t -LIB = -lstdc++ -lpthread -lmkl_em64t -lguide +LINKFLAGS = -O -L$(INTEL_MKL_LIB) -L$(INTEL_LIB) -Wl,-rpath,$(INTEL_MKL_LIB) -Wl,-rpath,$(INTEL_LIB) +LIB = -lstdc++ -liomp5 -lmkl_intel_lp64 -lmkl_core -lmkl_intel_thread -lpthread -lm SIZE = size ARCHIVE = ar @@ -35,6 +42,8 @@ # see possible settings in doc/Section_start.html#2_2 (step 4) LMP_INC = -DLAMMPS_GZIP +# RZG setup of LAMMPS +#LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG # MPI library, REQUIRED # see discussion in doc/Section_start.html#2_2 (step 5) @@ -54,9 +63,9 @@ # PATH = path for FFT library # LIB = name of FFT library -FFT_INC = -DFFT_FFTW -I/opt/intel/mkl/10.0.011/include/fftw +FFT_INC = -DFFT_FFTW -I$(INTEL_MKL_INC)/fftw FFT_PATH = -FFT_LIB = /opt/intel/mkl/10.0.011/lib/em64t/libfftw2xc_intel.a +FFT_LIB = $(INTEL_MKL_LIB)/libfftw2xc_single_intel.a # JPEG and/or PNG library, OPTIONAL # see discussion in doc/Section_start.html#2_2 (step 7)