# openmpi = Fedora Core 6, mpic++, OpenMPI-1.1, FFTW2 SHELL = /bin/sh # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler CC = mpic++ CCFLAGS = -O2 \ -funroll-loops -fstrict-aliasing -Wall -W -Wno-uninitialized DEPFLAGS = -M LINK = mpic++ LINKFLAGS = -O LIB = -lstdc++ ARCHIVE = ar ARFLAGS = -rcsv SIZE = size # --------------------------------------------------------------------- # LAMMPS-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = MPI_PATH = MPI_LIB = # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW -I/home/gbs/fftw-2.1.5/include FFT_PATH = FFT_LIB = -L/home/gbs/fftw-2.1.5/lib -lfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -L/opt/cluster/intel/11.1/069/lib/intel64/ -lifcore -lsvml -lompstub -limf reax_SYSLIB = -L/opt/cluster/intel/11.1/069/lib/intel64/ -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = /usr/lib64/libblas.so.3 /usr/lib64/liblapack.so.3 gpu_SYSPATH = -L/opt/cluster/cuda/3.0/cuda/lib64/ meam_SYSPATH = -L/opt/cluster/intel/11.1/069/lib/intel64/ reax_SYSPATH = -L/opt/cluster/intel/11.1/069/lib/intel64/ user-atc_SYSPATH = # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section include Makefile.package EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) # Link target $(EXE): $(OBJ) $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS)