# mkl = Intel Cluster Tools, mpiicc, MKL MPI, MKL FFT # Intel recommends Intel Cluster Tools Compiler Edition # to build libfftw2xc_intel.a: # > cd /opt/intel/mkl/10.0.011/interfaces/fftw2xc # > become root via su # > gmake libem64t SHELL = /bin/sh # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler CC = mpiicc CCFLAGS = -O3 -fno-alias -ip -unroll0 SHFLAGS = -fPIC DEPFLAGS = -M LINK = mpiicc LINKFLAGS = -O -L/opt/intel/mkl/lib/intel64 #LIB = -lstdc++ -lpthread -lmkl_em64t -lguide LIB = -lstdc++ -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lpthread -liomp5 SIZE = size ARCHIVE = ar ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- # LAMMPS-specific settings # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" # LAMMPS ifdef settings, OPTIONAL # see possible settings in doc/Section_start.html#2_2 (step 4) LMP_INC = -DLAMMPS_GZIP # MPI library, REQUIRED # see discussion in doc/Section_start.html#2_2 (step 5) # can point to dummy MPI library in src/STUBS as in Makefile.serial # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -DMPICH_SKIP_MPICXX MPI_PATH = MPI_LIB = -mt_mpi # FFT library, OPTIONAL # see discussion in doc/Section_start.html#2_2 (step 6) # can be left blank to use provided KISS FFT library # INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings # 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/opt/intel/mkl/include/fftw FFT_PATH = #FFT_LIB = /opt/intel/mkl/10.0.011/lib/em64t/libfftw2xc_intel.a FFT_LIB = /opt/intel/mkl/lib/intel64/libfftw2xc_double_intel.a # JPEG library, OPTIONAL # see discussion in doc/Section_start.html#2_2 (step 7) # only needed if -DLAMMPS_JPEG listed with LMP_INC # INC = path for jpeglib.h # PATH = path for JPEG library # LIB = name of JPEG library JPG_INC = JPG_PATH = JPG_LIB = # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section include Makefile.package.settings include Makefile.package EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) # Path to src files vpath %.cpp .. vpath %.h .. # Link target $(EXE): $(OBJ) $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library targets lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) shlib: $(OBJ) $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ $(OBJ) $(EXTRA_LIB) $(LIB) # Compilation rules %.o:%.cpp $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) sinclude $(DEPENDS)