diff --git a/src/MAKE/Makefile.xe6 b/src/MAKE/Makefile.xe6 new file mode 100644 index 0000000000..9c31e0d93e --- /dev/null +++ b/src/MAKE/Makefile.xe6 @@ -0,0 +1,112 @@ +# xe6 = Cray XE6, Cray CC, native MPI, FFTW + +SHELL = /bin/sh +.SUFFIXES: .cpp .d + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = CC +CCFLAGS = -fastsse +DEPFLAGS = -M +LINK = CC +LINKFLAGS = -O +LIB = -lstdc++ +ARCHIVE = ar +ARFLAGS = -rc +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 = -DMPICH_SKIP_MPICXX +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/sjplimp/fftw/fftw +FFT_PATH = -L/home/sjplimp/fftw/fftw/.libs +FFT_LIB = -lfftw + +# JPEG library, 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 = + +# 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 +# SYSINC = settings to compile with +# SYSLIB = libraries to link with +# SYSPATH = paths to libraries + +gpu_SYSINC = +meam_SYSINC = +reax_SYSINC = +user-atc_SYSINC = +user-awpmd_SYSINC = + +gpu_SYSLIB = -lcudart -lcuda +meam_SYSLIB = +reax_SYSLIB = +user-atc_SYSLIB = -lblas -llapack +user-awpmd_SYSLIB = -lblas -llapack + +gpu_SYSPATH = -L/usr/local/cuda/lib64 +meam_SYSPATH = +reax_SYSPATH = +user-atc_SYSPATH = +user-awpmd_SYSPATH = + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +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) $(PKG_SYSLIB) + +# Link target + +$(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)