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lammps/src/MAKE/Makefile.kraken
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Makefile.kraken
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# jaguar-single = ORNL Jaguar, NICS Kraken Cray XT5, gcc-4.4.x, native MPI, FFTW-2 single precision
# this requires the following commands to be executed:
# module swap PrgEnv-pgi PrgEnv-gnu
# module load fftw/2.1.5
#
SHELL = /bin/sh
# ---------------------------------------------------------------------
# compiler/linker settings
# specify flags and libraries needed for your compiler
CC = CC --target=linux
CCFLAGS = -O3 -march=native -mpc64 -fno-exceptions -fno-rtti -ffast-math \
-fstrict-aliasing -fomit-frame-pointer -finline-functions -Wall -Wno-unused
DEPFLAGS = -M
LINK = CC
LINKFLAGS = -O
LIB =
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 -DLAMMPS_XDR -DMALLOC_MEMALIGN=64
# 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_IGNORE_CXX_SEEK -DMPICH_SKIP_MPICXX
MPI_PATH =
MPI_LIB = #-lmpich -lpthread
# 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 -DFFTW_SIZE -I$(FFTW_INC) -DFFT_SINGLE
FFT_PATH = -L$(FFTW_DIR)
FFT_LIB = -lsfftw
# 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 = -lgfortran
reax_SYSLIB = -lgfortran
user-atc_SYSLIB = -lblas -llapack
gpu_SYSPATH =
meam_SYSPATH =
reax_SYSPATH =
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)
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