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lammps/src/MAKE/Makefile.redsky
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Makefile.redsky
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# redsky - SUN X6275 with dual socket/quad core nodes, mpic++, openmpi, FFTW
SHELL = /bin/sh
# This Makefile builds LAMMPS for RedSky with OpenMPI.
# To use this Makefile, you need appropriate modules loaded.
# You can determine which modules are loaded by typing:
# module list
# These modules can be enabled by lines like this in your .cshrc or
# other start-up shell file or by typing them before you build LAMMPS:
# module load mpi/openmpi-1.4.2_oobpr_intel-11.1-f064-c064
# module load libraries/intel-mkl-11.1.064
# module load libraries/fftw-2.1.5_openmpi-1.4.2_oobpr_intel-11.1-f064-c064
# These same modules need to be loaded to submit a LAMMPS job,
# either interactively or via a batch script.
# IMPORTANT NOTE:
# to run efficiently on RedSky, use the "numa_wrapper" mpiexec option,
# to insure proceses and their memory are locked to specific cores
# e.g. in your batch script:
# nodes=$SLURM_JOB_NUM_NODES
# cores=8
# mpiexec --npernode $cores numa_wrapper --ppn $cores lmp_redsky < in > out
# ---------------------------------------------------------------------
# compiler/linker settings
# specify flags and libraries needed for your compiler
CC = mpic++
CCFLAGS = -O2 -xsse4.2 -funroll-loops -fstrict-aliasing
SHFLAGS = -fPIC
DEPFLAGS = -M
LINK = mpic++
LINKFLAGS = -O -xsse4.2
LIB = -lstdc++
SIZE = size
ARCHIVE = ar
ARFLAGS = -rcsv
SHLIBFLAGS = -shared
# ---------------------------------------------------------------------
# LAMMPS-specific settings
# specify settings for LAMMPS features you will use
# if you change any -D setting, do full re-compile after "make clean"
# LAMMPS ifdef settings, OPTIONAL
# see possible settings in doc/Section_start.html#2_2 (step 4)
LMP_INC = -DLAMMPS_GZIP
# MPI library, REQUIRED
# see discussion in doc/Section_start.html#2_2 (step 5)
# can point to dummy MPI library in src/STUBS as in Makefile.serial
# INC = path for mpi.h, MPI compiler settings
# PATH = path for MPI library
# LIB = name of MPI library
MPI_INC =
MPI_PATH =
MPI_LIB =
# FFT library, OPTIONAL
# see discussion in doc/Section_start.html#2_2 (step 6)
# can be left blank to use provided KISS FFT library
# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings
# PATH = path for FFT library
# LIB = name of FFT library
FFT_INC = -DFFT_FFTW -I${FFTW_INCLUDE}
FFT_PATH = -L${FFTW_LIB}
FFT_LIB = -lfftw
# JPEG and/or PNG library, OPTIONAL
# see discussion in doc/Section_start.html#2_2 (step 7)
# 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 =
# ---------------------------------------------------------------------
# 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)
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