# intel_cpu = USER-INTEL package with CPU optimizations, Intel MPI, MKL FFT SHELL = /bin/sh # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler CC = /share/apps/openmpi-1.8.5/intel/bin/mpicc #/share/apps/intel/impi/4.1.0.024/bin64/mpiicc #/share/apps/intel/impi/4.1.0.024/bin64/mpicc #/share/apps/mpich2/3.1.4/intel/bin/mpicc #/share/apps/openmpi-1.8.5/intel/bin/mpic++ #/share/apps/intel/impi/4.1.0.024/bin64/mpicc CCFLAGS = -O2 -unroll -DLAMMPS_MEMALIGN=64 -fexceptions #-I/share/apps/intel/impi/4.1.0.024/include64 -L/share/apps/intel/impi/4.1.0.024/lib64 #CCFLAGS = -g -O3 -openmp -DLAMMPS_MEMALIGN=64 -I/share/apps/intel/impi/4.1.0.024/include64 -L/share/apps/intel/impi/4.1.0.024/lib64 -march=core2 -mtune=core2 -pc64 -ansi-alias -no-prec-div -no-prec-sqrt -fno-rtti # -override-limits \ # -no-offload -fno-alias -restrict -ansi-alias #-xHost SHFLAGS = -fPIC DEPFLAGS = -M LINK = /share/apps/openmpi-1.8.5/intel/bin/mpicc #/share/apps/intel/impi/4.1.0.024/bin64/mpicc #/share/apps/openmpi-1.8.5/intel/bin/mpic++ LINKFLAGS = -g -O3 -openmp #-xHost LIB = -lstdc++ -L/share/apps/intel/Compiler/11.0/081/lib/intel64 -liomp5 -lguide #-L/share/apps/intel/impi/4.1.0.024/intel64/lib -liomp5 -lguide -limf #-L/share/apps/intel/Compiler/11.0/081/lib/intel64 -liomp5 -lguide -limf #-lstdc++ SIZE = size ARCHIVE = ar ARFLAGS = -rc SHLIBFLAGS = -shared # --------------------------------------------------------------------- # LAMMPS-specific settings, all OPTIONAL # specify settings for LAMMPS features you will use # if you change any -D setting, do full re-compile after "make clean" # LAMMPS ifdef settings # see possible settings in Section 2.2 (step 4) of manual # LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG # MPI library # see discussion in Section 2.2 (step 5) of manual # MPI wrapper compiler/linker can provide this info # can point to dummy MPI library in src/STUBS as in Makefile.serial # use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -I/share/apps/intel/impi/4.1.0.024/include64 MPI_PATH = -L/share/apps/intel/impi/4.1.0.024/lib64 MPI_LIB = -lmpi -lmpi_ilp64 #-lmpi_mt #-I/share/apps/intel/impi/4.1.0.024/include64 #-I/share/apps/intel/impi/4.1.0.024/intel64/include #-I/share/apps/intel/impi/4.1.0.024/include #/share/apps/intel/impi/4.1.0.024/lib64 #MPI_INC = -I/share/apps/mpich2/3.1.4/gcc/include #MPI_PATH = -L/share/apps/mpich2/3.1.4/gcc/lib #MPI_LIB = /share/apps/mpich2/3.1.4/gcc/lib/libmpi.a #MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -I/share/apps/openmpi-1.8.5/intel/include #MPI_PATH = -L/share/apps/openmpi-1.8.5/intel/lib #MPI_LIB = -lmpi_mpifh -lbmpi_cxx -lmpi #MPI_LIB = -lmpi -lmpi_mt -lmpi_ilp64 -lmpichcxx -lmpich #MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -I/share/apps/intel/impi/4.1.0.024/include #MPI_PATH = -L/share/apps/intel/impi/4.1.0.024/lib64 #MPI_LIB = -lmpi -lmpi_mt -lmpi_ilp64 -lmpichcxx -lmpich # FFT library # see discussion in Section 2.2 (step 6) of manaul # 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_MKL -DFFT_SINGLE #FFT_PATH = #FFT_LIB = -L$MKLROOT/lib/intel64/ -lmkl_intel_ilp64 \ -lmkl_intel_thread -lmkl_core #FFT_INC = -DFFT_MKL -DFFT_SINGLE -I/share/apps/fftw-3.3.4/intel/include #FFT_INC = -DFFT_FFTW3 -I/share/apps/fftw-3.3.4/intel/include #FFT_PATH = -L/share/apps/fftw-3.3.4/intel/lib #FFT_LIB = -lfftw3 -lfftw3_omp -lfftw3_threads -lfftw3_mpi FFT_INC = -DFFT_FFTW3 -I/share/apps/intel/Compiler/11.1/072/mkl/include/fftw FFT_PATH = -L/share/apps/intel/Compiler/11.1/072/mkl/lib/em64t FFT_LIB = /share/apps/intel/Compiler/11.1/072/mkl/lib/em64t/libfftw2xc_intel.a # JPEG and/or PNG library # see discussion in Section 2.2 (step 7) of manual # only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC # INC = path(s) for jpeglib.h and/or png.h # PATH = path(s) for JPEG library and/or PNG library # LIB = name(s) of JPEG library and/or PNG library JPG_INC = JPG_PATH = JPG_LIB = -ljpeg # --------------------------------------------------------------------- # build rules and dependencies # do not 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) $< > $@ %.o:%.cu $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< # Individual dependencies DEPENDS = $(OBJ:.o=.d) sinclude $(DEPENDS)